Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02397"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"O-(2-Acetamido-2-Deoxy-Alpha-D-Galactopyranosyl)-L-Serine"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the glycoamino acids and derivatives. These are saccharides attached to a single amino acid by any kind of covalent bond. A glycosyl-amino-acid is a compound consisting of saccharide linked through a glycosyl linkage (O-, N-, or S-) to an amino acid.
Glycoamino Acids and Derivatives
Organic Compounds
Organic Acids and Derivatives
Carboxylic Acids and Derivatives
Amino Acids, Peptides, and Analogues
N-acyl-alpha-hexosamines
O-glycosyl Compounds
Hexoses
Alpha Amino Acids and Derivatives
Oxanes
Secondary Carboxylic Acid Amides
1,2-Diols
Secondary Alcohols
Enolates
Primary Alcohols
Carboxylic Acids
Acetals
Polyamines
Monoalkylamines
o-glycosyl compound
glycosyl compound
glucosamine
hexose monosaccharide
amino sugar
alpha-amino acid or derivative
monosaccharide
oxane
saccharide
secondary carboxylic acid amide
carboxamide group
polyol
1,2-diol
secondary alcohol
acetal
polyamine
primary alcohol
enolate
ether
carboxylic acid
primary amine
primary aliphatic amine
amine
alcohol
organonitrogen compound
logP
-3.2
ALOGPS
logS
-0.58
ALOGPS
Water Solubility
8.20e+01 g/l
ALOGPS
logP
-5.9
ChemAxon
IUPAC Name
(2R)-2-amino-3-{[(2R,3S,4S,5R,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propanoic acid
ChemAxon
Traditional IUPAC Name
(2R)-2-amino-3-{[(2R,3S,4S,5R,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propanoic acid
ChemAxon
Molecular Weight
308.2851
ChemAxon
Monoisotopic Weight
308.121965626
ChemAxon
SMILES
CC(=O)N[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1OC[C@@H](N)C(O)=O
ChemAxon
Molecular Formula
C11H20N2O8
ChemAxon
InChI
InChI=1S/C11H20N2O8/c1-4(15)13-7-9(17)8(16)6(2-14)21-11(7)20-3-5(12)10(18)19/h5-9,11,14,16-17H,2-3,12H2,1H3,(H,13,15)(H,18,19)/t5-,6+,7+,8+,9+,11-/m1/s1
ChemAxon
InChIKey
InChIKey=REDMNGDGDYFZRE-MPXQLOKASA-N
ChemAxon
Polar Surface Area (PSA)
171.57
ChemAxon
Refractivity
65.56
ChemAxon
Polarizability
28.74
ChemAxon
Rotatable Bond Count
6
ChemAxon
H Bond Acceptor Count
9
ChemAxon
H Bond Donor Count
6
ChemAxon
pKa (strongest acidic)
1.8
ChemAxon
pKa (strongest basic)
8.82
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
1
ChemAxon
Bioavailability
1
ChemAxon
PubChem Compound
46936373
PubChem Substance
46508292
ChemSpider
2574217
PDB
TNR
"
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| 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