1.0
2019-08-08 07:54:09 UTC
2020-04-06 23:40:23 UTC
FDB044868
MG(i-14:0/0:0/0:0)
C17H34O4
302.455
302.245709575
(2R)-2,3-dihydroxypropyl 12-methyltridecanoate
(2R)-2,3-dihydroxypropyl 12-methyltridecanoate
[H][C@@](O)(CO)COC(=O)CCCCCCCCCCC(C)C
InChI=1S/C17H34O4/c1-15(2)11-9-7-5-3-4-6-8-10-12-17(20)21-14-16(19)13-18/h15-16,18-19H,3-14H2,1-2H3/t16-/m1/s1
ZGNRVILZVRTZON-MRXNPFEDSA-N
belongs to the class of organic compounds known as 1-monoacylglycerols. These are monoacylglycerols containing a glycerol acylated at the 1-position.
1-monoacylglycerols
Organic compounds
Lipids and lipid-like molecules
Glycerolipids
Monoradylglycerols
Aliphatic acyclic compounds
1,2-diols
Carbonyl compounds
Carboxylic acid esters
Fatty acid esters
Hydrocarbon derivatives
Monocarboxylic acids and derivatives
Organic oxides
Primary alcohols
Secondary alcohols
1,2-diol
1-acyl-sn-glycerol
Alcohol
Aliphatic acyclic compound
Carbonyl group
Carboxylic acid derivative
Carboxylic acid ester
Fatty acid ester
Fatty acyl
Hydrocarbon derivative
Monocarboxylic acid or derivatives
Organic oxide
Organic oxygen compound
Organooxygen compound
Primary alcohol
Secondary alcohol
logp
4.50
logs
-3.85
solubility
4.31e-02 g/l
logp
4.04
pka_strongest_acidic
13.62
pka_strongest_basic
-3
iupac
(2R)-2,3-dihydroxypropyl 12-methyltridecanoate
average_mass
302.455
mono_mass
302.245709575
smiles
[H][C@@](O)(CO)COC(=O)CCCCCCCCCCC(C)C
formula
C17H34O4
inchi
InChI=1S/C17H34O4/c1-15(2)11-9-7-5-3-4-6-8-10-12-17(20)21-14-16(19)13-18/h15-16,18-19H,3-14H2,1-2H3/t16-/m1/s1
inchikey
ZGNRVILZVRTZON-MRXNPFEDSA-N
polar_surface_area
66.76
refractivity
84.85
polarizability
37.82
rotatable_bond_count
15
acceptor_count
3
donor_count
2
physiological_charge
0
formal_charge
0
Specdb::CMs
49093
Specdb::CMs
170783
Specdb::MsMs
622372
Specdb::MsMs
622373
Specdb::MsMs
622374
Specdb::MsMs
2648241
Specdb::MsMs
2648242
Specdb::MsMs
2648243
Specdb::MsMs
2750683
Specdb::MsMs
2750684
Specdb::MsMs
2750685
Specdb::MsMs
2927830
Specdb::MsMs
2927831
Specdb::MsMs
2927832
Specdb::MsMs
3103280
Specdb::MsMs
3103281
Specdb::MsMs
3103282
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