1.0
2011-09-21 00:17:23 UTC
2015-07-21 06:57:17 UTC
FDB022646
N-Sulfo-D-glucosamine
No human references found [HMDB]
N-Sulfo-D-glucosamine
C6H13NO8S
259.234
259.036187087
N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]sulfamic acid
N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]sulfamic acid
909257-48-3
OC[C@H]1O[C@@H](O)[C@H](NS(O)(=O)=O)[C@@H](O)[C@@H]1O
InChI=1S/C6H13NO8S/c8-1-2-4(9)5(10)3(6(11)15-2)7-16(12,13)14/h2-11H,1H2,(H,12,13,14)/t2-,3-,4-,5-,6-/m1/s1
PRDZVHCOEWJPOB-QZABAPFNSA-N
belongs to the class of organic compounds known as hexoses. These are monosaccharides in which the sugar unit is a is a six-carbon containing moeity.
Hexoses
Organic compounds
Organic oxygen compounds
Organooxygen compounds
Carbohydrates and carbohydrate conjugates
Aliphatic heteromonocyclic compounds
Hemiacetals
Hydrocarbon derivatives
Organic oxides
Organonitrogen compounds
Organopnictogen compounds
Oxacyclic compounds
Oxanes
Polyols
Primary alcohols
Secondary alcohols
Sulfuric acid monoamides
Alcohol
Aliphatic heteromonocyclic compound
Hemiacetal
Hexose monosaccharide
Hydrocarbon derivative
Organic nitrogen compound
Organic oxide
Organic sulfuric acid or derivatives
Organoheterocyclic compound
Organonitrogen compound
Organopnictogen compound
Oxacycle
Oxane
Polyol
Primary alcohol
Secondary alcohol
Sulfuric acid monoamide
Solid
logp
-2.30
logs
-0.44
solubility
9.43e+01 g/l
logp
-4.9
pka_strongest_acidic
-1.3
pka_strongest_basic
-3
iupac
N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]sulfamic acid
average_mass
259.234
mono_mass
259.036187087
smiles
OC[C@H]1O[C@@H](O)[C@H](NS(O)(=O)=O)[C@@H](O)[C@@H]1O
formula
C6H13NO8S
inchi
InChI=1S/C6H13NO8S/c8-1-2-4(9)5(10)3(6(11)15-2)7-16(12,13)14/h2-11H,1H2,(H,12,13,14)/t2-,3-,4-,5-,6-/m1/s1
inchikey
PRDZVHCOEWJPOB-QZABAPFNSA-N
polar_surface_area
156.55
refractivity
47.86
polarizability
22.08
rotatable_bond_count
2
acceptor_count
8
donor_count
6
physiological_charge
-1
formal_charge
0
Specdb::CMs
18312
Specdb::CMs
38089
Specdb::CMs
132154
Specdb::CMs
139888
Specdb::NmrOneD
147820
Specdb::NmrOneD
147821
Specdb::NmrOneD
147822
Specdb::NmrOneD
147823
Specdb::NmrOneD
147824
Specdb::NmrOneD
147825
Specdb::NmrOneD
147826
Specdb::NmrOneD
147827
Specdb::NmrOneD
147828
Specdb::NmrOneD
147829
Specdb::NmrOneD
147830
Specdb::NmrOneD
147831
Specdb::NmrOneD
147832
Specdb::NmrOneD
147833
Specdb::NmrOneD
147834
Specdb::NmrOneD
147835
Specdb::NmrOneD
147836
Specdb::NmrOneD
147837
Specdb::NmrOneD
147838
Specdb::NmrOneD
147839
Specdb::MsMs
306604
Specdb::MsMs
306605
Specdb::MsMs
306606
Specdb::MsMs
350305
Specdb::MsMs
350306
Specdb::MsMs
350307
Specdb::MsMs
2690687
Specdb::MsMs
2690688
Specdb::MsMs
2690689
Specdb::MsMs
2988365
Specdb::MsMs
2988366
Specdb::MsMs
2988367
HMDB01481
16702
Anatidae
Type 1
specific
Anatidae
8830
Beefalo
Type 1
specific
Bos taurus X Bison bison
297284
Bison
Type 1
specific
Bison bison
9901
Buffalo
Type 1
specific
Bubalus bubalis
89462
Cattle (Beef, Veal)
Type 1
specific
Bos taurus
9913
Chicken
Type 1
specific
Gallus gallus
9031
Columbidae (Dove, Pigeon)
Type 1
specific
Columbidae
8930
Deer
Type 1
specific
Cervidae
9850
Domestic goat
Type 1
specific
Capra aegagrus hircus
9925
Domestic pig
Type 1
specific
Sus scrofa domestica
9825
Elk
Type 1
specific
Cervus canadensis
1574408
Emu
Type 1
specific
Dromaius novaehollandiae
8790
European rabbit
Type 1
specific
Oryctolagus
9984
Greylag goose
Type 1
specific
Anser anser
8843
Guinea hen
Type 1
specific
Numida meleagris
8996
Horse
Type 1
specific
Equus caballus
9796
Mallard duck
Type 1
specific
Anas platyrhynchos
8839
Mountain hare
Type 1
specific
Lepus timidus
62621
Mule deer
Type 1
specific
Odocoileus
9871
Ostrich
Type 1
specific
Struthio camelus
8801
Pheasant
Type 1
specific
Phasianus colchicus
9054
Quail
Type 1
specific
Phasianidae
9005
Rabbit
Type 1
specific
Leporidae
9979
Rock ptarmigan
Type 1
specific
Lagopus muta
64668
Sheep (Mutton, Lamb)
Type 1
specific
Ovis aries
9940
Squab
Type 1
specific
Columba
8931
Turkey
Type 1
specific
Meleagris gallopavo
9103
Velvet duck
Type 1
specific
Melanitta fusca
371864
Wild boar
Type 1
specific
Sus scrofa
9823