Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02536"
| Predicate | Value (sorted: none) |
|---|---|
| owl:sameAs | |
| rdf:type | |
| drugbank:description |
"
367-47-5
experimental
This compound belongs to the secondary alcohols. These are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).
Secondary Alcohols
Organic Compounds
Organooxygen Compounds
Alcohols and Polyols
Secondary Alcohols
1,2-Diols
Enolates
Polyamines
Primary Alcohols
Aldehydes
enolate
polyamine
primary alcohol
aldehyde
logP
-1.6
ALOGPS
logS
0.96
ALOGPS
Water Solubility
8.14e+02 g/l
ALOGPS
logP
-1.7
ChemAxon
IUPAC Name
(2R)-2,3-dihydroxypropanal
ChemAxon
Traditional IUPAC Name
glyceraldehyde
ChemAxon
Molecular Weight
90.0779
ChemAxon
Monoisotopic Weight
90.031694058
ChemAxon
SMILES
OC[C@@H](O)C=O
ChemAxon
Molecular Formula
C3H6O3
ChemAxon
InChI
InChI=1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2/t3-/m0/s1
ChemAxon
InChIKey
InChIKey=MNQZXJOMYWMBOU-VKHMYHEASA-N
ChemAxon
Polar Surface Area (PSA)
57.53
ChemAxon
Refractivity
19.46
ChemAxon
Polarizability
8.05
ChemAxon
Rotatable Bond Count
2
ChemAxon
H Bond Acceptor Count
3
ChemAxon
H Bond Donor Count
2
ChemAxon
pKa (strongest acidic)
12.8
ChemAxon
pKa (strongest basic)
-3
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
0
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Melting Point
145 °C
PhysProp
ChEBI
5445
PubChem Compound
79014
PubChem Substance
46508159
KEGG Compound
C02154
ChemSpider
731
PDB
3GR
"
|
| rdfs:label |
"(2r)-2,3-Dihydroxypropanal"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines2/drugbank_small.nt
The resource does not appear as an object