Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03618"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"2-(Acetylamino)-2-Deoxy-4-O-Beta-D-Galactopyranosyl-Alpha-D-Glucopyranose"
|
| rdf:type | |
| ns1:description |
"
experimental
This compound belongs to the n-acyl-alpha-hexosamines. These are carbohydrate derivatives containing a hexose moeity in which the oxygen atom is replaced by an n-acyl group.
N-acyl-alpha-hexosamines
Organic Compounds
Organooxygen Compounds
Carbohydrates and Carbohydrate Conjugates
Amino Sugars
Dihexoses
O-glycosyl Compounds
Oxanes
Secondary Carboxylic Acid Amides
1,2-Diols
Secondary Alcohols
Hemiacetals
Enolates
Polyamines
Carboxylic Acids
Acetals
Primary Alcohols
glycosyl compound
o-glycosyl compound
disaccharide
oxane
secondary carboxylic acid amide
polyol
hemiacetal
1,2-diol
carboxamide group
secondary alcohol
acetal
primary alcohol
polyamine
carboxylic acid derivative
enolate
carboxylic acid
ether
alcohol
amine
organonitrogen compound
logP
-2.8
ALOGPS
logS
-0.17
ALOGPS
Water Solubility
2.59e+02 g/l
ALOGPS
logP
-5
ChemAxon
IUPAC Name
N-[(2R,3R,4R,5R,6R)-2,4-dihydroxy-6-(hydroxymethyl)-5-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl]acetamide
ChemAxon
Traditional IUPAC Name
N-[(2R,3R,4R,5R,6R)-2,4-dihydroxy-6-(hydroxymethyl)-5-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl]acetamide
ChemAxon
Molecular Weight
383.3484
ChemAxon
Monoisotopic Weight
383.142760647
ChemAxon
SMILES
CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O
ChemAxon
Molecular Formula
C14H25NO11
ChemAxon
InChI
InChI=1S/C14H25NO11/c1-4(18)15-7-9(20)12(6(3-17)24-13(7)23)26-14-11(22)10(21)8(19)5(2-16)25-14/h5-14,16-17,19-23H,2-3H2,1H3,(H,15,18)/t5-,6-,7-,8+,9-,10+,11-,12+,13-,14+/m1/s1
ChemAxon
InChIKey
InChIKey=KFEUJDWYNGMDBV-DNXXAFDGSA-N
ChemAxon
Polar Surface Area (PSA)
198.4
ChemAxon
Refractivity
79.44
ChemAxon
Polarizability
35.78
ChemAxon
Rotatable Bond Count
5
ChemAxon
H Bond Acceptor Count
11
ChemAxon
H Bond Donor Count
8
ChemAxon
pKa (strongest acidic)
11.5
ChemAxon
pKa (strongest basic)
-3
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
2
ChemAxon
Bioavailability
0
ChemAxon
PubChem Compound
44611450
PubChem Substance
46505624
PDB
NLC
"
|
| 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