Showing Compound beta-D-Fructofuranosyl alpha-D-glucopyranosyl-(1->4)-D-glucopyranoside (FDB001194)

Record Information

Version

1.0

Creation date

2010-04-08 22:04:52 UTC

Update date

2018-05-28 22:09:43 UTC

Primary ID

FDB001194

Secondary Accession Numbers

Not Available

Chemical Information

FooDB Name

beta-D-Fructofuranosyl alpha-D-glucopyranosyl-(1->4)-D-glucopyranoside

Description

beta-D-Fructofuranosyl alpha-D-glucopyranosyl-(1->4)-D-glucopyranoside belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds. Based on a literature review very few articles have been published on beta-D-Fructofuranosyl alpha-D-glucopyranosyl-(1->4)-D-glucopyranoside.

CAS Number

13101-54-7

Structure

MOL SDF PDB SMILES InChI

Synonyms

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Synonym	Source
4-O-a-D-Glucopyranosylsucrose	HMDB
a-Maltosylfructose	HMDB
b-D-Fructofuranosyl a-D-glucopyranosyl-(1->4)-D-glucopyranoside	Generator
Erlose	HMDB
Fructomaltose	HMDB
Β-D-fructofuranosyl α-D-glucopyranosyl-(1->4)-D-glucopyranoside	Generator

Showing 1 to 6 of 6 entries

Predicted Properties

Property	Value	Source
Water Solubility	726 g/L	ALOGPS
logP	-3.4	ALOGPS
logP	-6.3	ChemAxon
logS	0.16	ALOGPS
pKa (Strongest Acidic)	11.71	ChemAxon
pKa (Strongest Basic)	-3.5	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	16	ChemAxon
Hydrogen Donor Count	11	ChemAxon
Polar Surface Area	268.68 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	101.19 m³·mol⁻¹	ChemAxon
Polarizability	46.76 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Chemical Formula

C18H32O16

IUPAC name

2-[(6-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

InChI Identifier

InChI=1S/C18H32O16/c19-1-5-8(23)10(25)12(27)16(30-5)32-14-7(3-21)31-17(13(28)11(14)26)34-18(4-22)15(29)9(24)6(2-20)33-18/h5-17,19-29H,1-4H2

InChI Key

FVVCFHXLWDDRHG-UHFFFAOYSA-N

Isomeric SMILES

OCC1OC(CO)(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O

Average Molecular Weight

504.4371

Monoisotopic Molecular Weight

504.169034976

Classification

Description

Belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Oligosaccharides

Alternative Parents

Substituents

Oligosaccharide
C-glycosyl compound
Glycosyl compound
O-glycosyl compound
Ketal
Oxane
Tetrahydrofuran
Secondary alcohol
Acetal
Oxacycle
Organoheterocyclic compound
Polyol
Alcohol
Primary alcohol
Hydrocarbon derivative
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Disposition

Source:

Food

Biological location:

Subcellular:

Cytoplasm

Cell and elements:

Extracellular

Role

Biological role:

Nutrient

Physico-Chemical Properties

Physico-Chemical Properties - Experimental

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Property	Value	Reference
Boiling Point	Not Available
Charge	Not Available
Density	Not Available
Experimental logP	Not Available
Experimental pKa	Not Available
Experimental Water Solubility	Not Available
Isoelectric point	Not Available
Mass Composition	C 42.86%; H 6.39%; O 50.75%	DFC
Melting Point	Mp 118-124° dec.	DFC
Optical Rotation	[a]25D +128.8 (c, 2.3 in H2O)	DFC

Showing 1 to 10 of 14 entries

Spectra

EI-MS/GC-MS

Type	Description	Splash Key	View
Predicted GC-MS	beta-D-Fructofuranosyl alpha-D-glucopyranosyl-(1->4)-D-glucopyranoside, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive	splash10-0079-5321900000-9b05688dc8ebd4e69272	Spectrum
Predicted GC-MS	beta-D-Fructofuranosyl alpha-D-glucopyranosyl-(1->4)-D-glucopyranoside, 2 TMS, Predicted GC-MS Spectrum - 70eV, Positive	splash10-001i-7512039000-cd3276e153b44f9caea4	Spectrum
Predicted GC-MS	beta-D-Fructofuranosyl alpha-D-glucopyranosyl-(1->4)-D-glucopyranoside, TMS_4_241, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	beta-D-Fructofuranosyl alpha-D-glucopyranosyl-(1->4)-D-glucopyranoside, TMS_5_96, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	beta-D-Fructofuranosyl alpha-D-glucopyranosyl-(1->4)-D-glucopyranoside, TMS_5_212, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	beta-D-Fructofuranosyl alpha-D-glucopyranosyl-(1->4)-D-glucopyranoside, TMS_5_247, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	beta-D-Fructofuranosyl alpha-D-glucopyranosyl-(1->4)-D-glucopyranoside, TMS_5_292, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	beta-D-Fructofuranosyl alpha-D-glucopyranosyl-(1->4)-D-glucopyranoside, TMS_5_352, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	beta-D-Fructofuranosyl alpha-D-glucopyranosyl-(1->4)-D-glucopyranoside, TMS_5_372, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	beta-D-Fructofuranosyl alpha-D-glucopyranosyl-(1->4)-D-glucopyranoside, TMS_5_392, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	beta-D-Fructofuranosyl alpha-D-glucopyranosyl-(1->4)-D-glucopyranoside, TMS_5_393, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	beta-D-Fructofuranosyl alpha-D-glucopyranosyl-(1->4)-D-glucopyranoside, TMS_5_394, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	beta-D-Fructofuranosyl alpha-D-glucopyranosyl-(1->4)-D-glucopyranoside, TBDMS_3_49, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	beta-D-Fructofuranosyl alpha-D-glucopyranosyl-(1->4)-D-glucopyranoside, TBDMS_3_100, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	beta-D-Fructofuranosyl alpha-D-glucopyranosyl-(1->4)-D-glucopyranoside, TBDMS_3_125, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	beta-D-Fructofuranosyl alpha-D-glucopyranosyl-(1->4)-D-glucopyranoside, "beta-D-Fructofuranosyl alpha-D-glucopyranosyl-(1->4)-D-glucopyranoside,4TMS,#241" TMS, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	beta-D-Fructofuranosyl alpha-D-glucopyranosyl-(1->4)-D-glucopyranoside, TMS_1_1, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	beta-D-Fructofuranosyl alpha-D-glucopyranosyl-(1->4)-D-glucopyranoside, TMS_1_2, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	beta-D-Fructofuranosyl alpha-D-glucopyranosyl-(1->4)-D-glucopyranoside, TMS_1_3, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	beta-D-Fructofuranosyl alpha-D-glucopyranosyl-(1->4)-D-glucopyranoside, TMS_1_4, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	beta-D-Fructofuranosyl alpha-D-glucopyranosyl-(1->4)-D-glucopyranoside, TMS_1_5, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	beta-D-Fructofuranosyl alpha-D-glucopyranosyl-(1->4)-D-glucopyranoside, TMS_1_6, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	beta-D-Fructofuranosyl alpha-D-glucopyranosyl-(1->4)-D-glucopyranoside, TMS_1_7, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	beta-D-Fructofuranosyl alpha-D-glucopyranosyl-(1->4)-D-glucopyranoside, TMS_1_8, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	beta-D-Fructofuranosyl alpha-D-glucopyranosyl-(1->4)-D-glucopyranoside, TMS_1_9, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum

MS/MS

Type	Description	Splash Key	View
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-01q9-0901000000-7b2f9c899a0347b9c3bd	2016-08-03	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-01u0-0903000000-1e702ea6bcc19290d5f6	2016-08-03	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-03ec-7900000000-8e5934cea59e8a2bbc1f	2016-08-03	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-03di-2901000000-530093b16f6e78d13779	2016-08-03	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-01t9-0901000000-a97ce884c4a6c7f69c95	2016-08-03	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004m-4900000000-eed7c8b0eb674357bb87	2016-08-03	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0w29-0807190000-e4a67a52df3419c87876	2021-09-22	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0a6r-9404620000-3288eed1054b8787e56a	2021-09-22	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-05du-9311000000-0682f3922d8eaa79c598	2021-09-22	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-06r2-0903240000-3c954c86905d7287cd7c	2021-09-22	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0gwk-2901000000-ad7b7c3d0c7dea7bae8d	2021-09-22	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0002-9710000000-7ffc1da6c35ed64b4225	2021-09-22	View Spectrum

NMR

Not Available

External Links

ChemSpider ID

Not Available

ChEMBL ID

Not Available

KEGG Compound ID

Not Available

Pubchem Compound ID

Not Available

Pubchem Substance ID

Not Available

ChEBI ID

Not Available

Phenol-Explorer ID

Not Available

DrugBank ID

Not Available

HMDB ID

Not Available

CRC / DFC (Dictionary of Food Compounds) ID

BVZ18-F:BVZ18-F

EAFUS ID

Not Available

Dr. Duke ID

Not Available

BIGG ID

Not Available

KNApSAcK ID

Not Available

HET ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

Flavornet ID

Not Available

GoodScent ID

Not Available

SuperScent ID

Not Available

Wikipedia ID

Not Available

Phenol-Explorer Metabolite ID

Not Available

Duplicate IDS

Not Available

Old DFC IDS

Not Available

Associated Foods

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Food	Content Range	Average	Reference

Processing...

Biological Effects and Interactions

Health Effects / Bioactivities

Not Available

Enzymes

Not Available

Pathways

Not Available

Metabolism

Not Available

Biosynthesis

Not Available

Organoleptic Properties

Flavours

Not Available

Files

MSDS

Not Available

References

Synthesis Reference

Not Available

General Reference

Not Available

Content Reference

Showing Compound beta-D-Fructofuranosyl alpha-D-glucopyranosyl-(1->4)-D-glucopyranoside (FDB001194)

Structure for FDB001194 (beta-D-Fructofuranosyl alpha-D-glucopyranosyl-(1->4)-D-glucopyranoside)