Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02916"
| Predicate | Value (sorted: none) |
|---|---|
| drugbank:description |
"
experimental
This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.
Purine Nucleosides and Analogues
Organic Compounds
Organooxygen Compounds
Carbohydrates and Carbohydrate Conjugates
Glycosyl Compounds
Pentoses
Purines and Purine Derivatives
Aminopyrimidines and Derivatives
N-substituted Imidazoles
Primary Aromatic Amines
Tetrahydrofurans
Sulfuric Acid Amide Esters
Organic Sulfites
Oxolanes
1,2-Diols
Secondary Alcohols
Ethers
Polyamines
pentose monosaccharide
imidazopyrimidine
purine
aminopyrimidine
primary aromatic amine
sulfuric acid amide ester
pyrimidine
monosaccharide
n-substituted imidazole
tetrahydrofuran
sulfuric acid derivative
azole
imidazole
organic sulfite
oxolane
secondary alcohol
1,2-diol
polyamine
ether
primary amine
amine
organonitrogen compound
alcohol
logP
-1.3
ALOGPS
logS
-1.8
ALOGPS
Water Solubility
5.93e+00 g/l
ALOGPS
logP
-2.6
ChemAxon
IUPAC Name
[(2S,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl sulfamate
ChemAxon
Traditional IUPAC Name
[(2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl sulfamate
ChemAxon
Molecular Weight
346.32
ChemAxon
Monoisotopic Weight
346.0695529
ChemAxon
SMILES
NC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H](COS(N)(=O)=O)[C@H](O)[C@H]1O
ChemAxon
Molecular Formula
C10H14N6O6S
ChemAxon
InChI
InChI=1S/C10H14N6O6S/c11-8-5-9(14-2-13-8)16(3-15-5)10-7(18)6(17)4(22-10)1-21-23(12,19)20/h2-4,6-7,10,17-18H,1H2,(H2,11,13,14)(H2,12,19,20)/t4-,6-,7+,10+/m0/s1
ChemAxon
InChIKey
InChIKey=GNZLUJQJDPRUTD-FCIPNVEPSA-N
ChemAxon
Polar Surface Area (PSA)
188.7
ChemAxon
Refractivity
74.72
ChemAxon
Polarizability
31.11
ChemAxon
Rotatable Bond Count
4
ChemAxon
H Bond Acceptor Count
10
ChemAxon
H Bond Donor Count
4
ChemAxon
pKa (strongest acidic)
11.3
ChemAxon
pKa (strongest basic)
4.99
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
3
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
46936528
PubChem Substance
46508884
PDB
LMS
"
|
| rdfs:label |
"[(2r,3s,4r,5r)-5-(6-Amino-9h-Purin-9-Yl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methyl Sulfamate"
|
| owl:sameAs | |
| rdf:type |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object