Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03831"
| Predicate | Value (sorted: none) |
|---|---|
| rdf:type | |
| ns1:description |
"
experimental
This compound belongs to the sugar acids and derivatives. These are compounds containing a saccharide unit which bears a carboxylic acid group.
Sugar Acids and Derivatives
Organic Compounds
Organooxygen Compounds
Carbohydrates and Carbohydrate Conjugates
Sugar Acids and Derivatives
Beta Hydroxy Acids and Derivatives
Trioses
Secondary Alcohols
Carboxylic Acid Esters
1,2-Diols
Enolates
Polyamines
Ethers
Primary Alcohols
Aldehydes
hydroxy acid
triose monosaccharide
monosaccharide
secondary alcohol
carboxylic acid ester
1,2-diol
primary alcohol
enolate
carboxylic acid derivative
ether
polyamine
alcohol
aldehyde
logP
6.54
ALOGPS
logS
-5.5
ALOGPS
Water Solubility
1.05e-03 g/l
ALOGPS
logP
5.81
ChemAxon
IUPAC Name
(9E)-octadec-9-en-1-yl (2S)-2,3-dihydroxypropanoate
ChemAxon
Traditional IUPAC Name
1-monooleoyl-rac-glycerol
ChemAxon
Molecular Weight
356.5399
ChemAxon
Monoisotopic Weight
356.292659768
ChemAxon
SMILES
CCCCCCCC\C=C\CCCCCCCCOC(=O)[C@@H](O)CO
ChemAxon
Molecular Formula
C21H40O4
ChemAxon
InChI
InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-21(24)20(23)19-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9+/t20-/m0/s1
ChemAxon
InChIKey
InChIKey=JPJYKWFFJCWMPK-XTXLJPNXSA-N
ChemAxon
Polar Surface Area (PSA)
66.76
ChemAxon
Refractivity
104.56
ChemAxon
Polarizability
45.84
ChemAxon
Rotatable Bond Count
19
ChemAxon
H Bond Acceptor Count
3
ChemAxon
H Bond Donor Count
2
ChemAxon
pKa (strongest acidic)
11.94
ChemAxon
pKa (strongest basic)
-3
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
0
ChemAxon
Bioavailability
0
ChemAxon
PubChem Compound
46936801
PubChem Substance
46507890
PDB
MPG
"
|
| rdfs:label |
"1-Monooleoyl-Rac-Glycerol"
|
| owl:sameAs |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines/drugbank_small.nt
The resource does not appear as an object