Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB01724"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"Reduced Threonine"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the 1,2-aminoalcohols. These are organic compounds containing an alkyl chain with an amine group bound to the C1 atom and an alcohol group bound to the C2 atom.
1,2-Aminoalcohols
Organic Compounds
Organonitrogen Compounds
Amines
Alkanolamines
Secondary Alcohols
Primary Alcohols
Polyamines
Monoalkylamines
polyamine
primary alcohol
primary amine
primary aliphatic amine
alcohol
logP
-1.4
ALOGPS
logS
0.88
ALOGPS
Water Solubility
8.05e+02 g/l
ALOGPS
logP
-1.5
ChemAxon
IUPAC Name
(2R,3S)-2-aminobutane-1,3-diol
ChemAxon
Traditional IUPAC Name
reduced threonine
ChemAxon
Molecular Weight
105.1356
ChemAxon
Monoisotopic Weight
105.078978601
ChemAxon
SMILES
C[C@H](O)[C@H](N)CO
ChemAxon
Molecular Formula
C4H11NO2
ChemAxon
InChI
InChI=1S/C4H11NO2/c1-3(7)4(5)2-6/h3-4,6-7H,2,5H2,1H3/t3-,4+/m0/s1
ChemAxon
InChIKey
InChIKey=MUVQIIBPDFTEKM-IUYQGCFVSA-N
ChemAxon
Polar Surface Area (PSA)
66.48
ChemAxon
Refractivity
26.59
ChemAxon
Polarizability
11.15
ChemAxon
Rotatable Bond Count
2
ChemAxon
H Bond Acceptor Count
3
ChemAxon
H Bond Donor Count
3
ChemAxon
pKa (strongest acidic)
14.64
ChemAxon
pKa (strongest basic)
9.3
ChemAxon
Physiological Charge
1
ChemAxon
Number of Rings
0
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
6579452
PubChem Substance
46506406
ChemSpider
4245518
PDB
THO
"
|
| owl:sameAs |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object