Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02380"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"2'-Deoxyinosine"
|
| rdf:type | |
| ns1:description |
"
890-38-0
experimental
This compound belongs to the purine ribonucleoside diphosphates. These are purine ribobucleotides with diphosphate group linked to the ribose moiety.
Purine Ribonucleoside Diphosphates
Organic Compounds
Organooxygen Compounds
Carbohydrates and Carbohydrate Conjugates
Glycosyl Compounds
Organic Pyrophosphates
Hypoxanthines
Pyrimidones
N-substituted Imidazoles
Organic Phosphoric Acids
Organophosphate Esters
Tetrahydrofurans
Oxolanes
Secondary Alcohols
Polyamines
Ethers
organic pyrophosphate
hypoxanthine
purine
imidazopyrimidine
pyrimidone
n-substituted imidazole
phosphoric acid ester
organic phosphate
pyrimidine
tetrahydrofuran
imidazole
oxolane
azole
secondary alcohol
polyamine
ether
alcohol
organonitrogen compound
amine
logP
-1
ALOGPS
logS
-2.1
ALOGPS
Water Solubility
3.62e+00 g/l
ALOGPS
logP
-2.7
ChemAxon
IUPAC Name
{[hydroxy({[(2R,3S,5R)-3-hydroxy-5-(6-oxo-6,9-dihydro-3H-purin-9-yl)oxolan-2-yl]methoxy})phosphoryl]oxy}phosphonic acid
ChemAxon
Traditional IUPAC Name
{hydroxy[(2R,3S,5R)-3-hydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methoxyphosphoryl}oxyphosphonic acid
ChemAxon
Molecular Weight
412.1865
ChemAxon
Monoisotopic Weight
412.018515712
ChemAxon
SMILES
O[C@H]1C[C@@H](O[C@@H]1CO[P@@](O)(=O)OP(O)(O)=O)N1C=NC2=C1NC=NC2=O
ChemAxon
Molecular Formula
C10H14N4O10P2
ChemAxon
InChI
InChI=1S/C10H14N4O10P2/c15-5-1-7(14-4-13-8-9(14)11-3-12-10(8)16)23-6(5)2-22-26(20,21)24-25(17,18)19/h3-7,15H,1-2H2,(H,20,21)(H,11,12,16)(H2,17,18,19)/t5-,6+,7+/m0/s1
ChemAxon
InChIKey
InChIKey=BKUSIKGSPSFQAC-RRKCRQDMSA-N
ChemAxon
Polar Surface Area (PSA)
202.03
ChemAxon
Refractivity
81.13
ChemAxon
Polarizability
33.01
ChemAxon
Rotatable Bond Count
6
ChemAxon
H Bond Acceptor Count
11
ChemAxon
H Bond Donor Count
5
ChemAxon
pKa (strongest acidic)
1.73
ChemAxon
pKa (strongest basic)
2.67
ChemAxon
Physiological Charge
-3
ChemAxon
Number of Rings
3
ChemAxon
Bioavailability
0
ChemAxon
MDDR-Like Rule
true
ChemAxon
Melting Point
> 250 dec °C
PhysProp
logP
-1.71
FORD,H ET AL. (1991)
ChEBI
28997
PubChem Compound
439488
PubChem Substance
46506677
KEGG Compound
C01344
PDB
2ND
"
|
| 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