Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB04060"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"(5-Methyl-6-Oxo-1,6-Dihydro-Pyridin-3-Yl)-1,2-Dideoxy-Ribofuranose-5-Monophosphate"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the pyridinones. These are compounds containing a pyridine ring, which bears a ketone.
Pyridinones
Organic Compounds
Heterocyclic Compounds
Pyridines and Derivatives
Hydropyridines
Dihydropyridines
Organophosphate Esters
Organic Phosphoric Acids
Tetrahydrofurans
Oxolanes
Secondary Alcohols
Polyamines
Dialkyl Ethers
phosphoric acid ester
organic phosphate
tetrahydrofuran
oxolane
secondary alcohol
polyamine
dialkyl ether
ether
organonitrogen compound
alcohol
logP
-1.2
ALOGPS
logS
-1.9
ALOGPS
Water Solubility
4.26e+00 g/l
ALOGPS
logP
-1.4
ChemAxon
IUPAC Name
{[(2S,3R,5R)-3-hydroxy-5-(5-methyl-6-oxo-1,6-dihydropyridin-3-yl)oxolan-2-yl]methoxy}phosphonic acid
ChemAxon
Traditional IUPAC Name
[(2S,3R,5R)-3-hydroxy-5-(5-methyl-6-oxo-1H-pyridin-3-yl)oxolan-2-yl]methoxyphosphonic acid
ChemAxon
Molecular Weight
305.221
ChemAxon
Monoisotopic Weight
305.066438383
ChemAxon
SMILES
CC1=CC(=CNC1=O)[C@H]1C[C@@H](O)[C@H](COP(O)(O)=O)O1
ChemAxon
Molecular Formula
C11H16NO7P
ChemAxon
InChI
InChI=1S/C11H16NO7P/c1-6-2-7(4-12-11(6)14)9-3-8(13)10(19-9)5-18-20(15,16)17/h2,4,8-10,13H,3,5H2,1H3,(H,12,14)(H2,15,16,17)/t8-,9-,10+/m1/s1
ChemAxon
InChIKey
InChIKey=MUWYCJQCZPFLFI-BBBLOLIVSA-N
ChemAxon
Polar Surface Area (PSA)
125.32
ChemAxon
Refractivity
68.57
ChemAxon
Polarizability
27.46
ChemAxon
Rotatable Bond Count
4
ChemAxon
H Bond Acceptor Count
6
ChemAxon
H Bond Donor Count
4
ChemAxon
pKa (strongest acidic)
1.24
ChemAxon
pKa (strongest basic)
-2.6
ChemAxon
Physiological Charge
-2
ChemAxon
Number of Rings
2
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
46936875
PubChem Substance
46506947
PDB
MTR
"
|
| owl:sameAs |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines2/drugbank_small.nt
The resource does not appear as an object