Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03249"
| Predicate | Value (sorted: none) |
|---|---|
| rdfs:label |
"2'-O-Methyl-3'-Methyl-3'-Deoxy-Arabinofuranosyl-Thymine-5'-Phosphate"
|
| ns1:description |
"
experimental
This compound belongs to the pyrimidine 3'-deoxyribonucleoside monophosphates. These are pyrimidine nucleotides with monophosphate group linked to the ribose moiety lacking an hydroxyl group at position 3.
Pyrimidine 3'-deoxyribonucleoside Monophosphates
Organic Compounds
Organooxygen Compounds
Carbohydrates and Carbohydrate Conjugates
Glycosyl Compounds
Pyrimidones
Organophosphate Esters
Organic Phosphoric Acids
Hydropyrimidines
Tetrahydrofurans
Oxolanes
Polyamines
Ethers
pyrimidone
phosphoric acid ester
organic phosphate
hydropyrimidine
pyrimidine
tetrahydrofuran
oxolane
polyamine
ether
organonitrogen compound
amine
logP
-0.8
ALOGPS
logS
-1.9
ALOGPS
Water Solubility
4.89e+00 g/l
ALOGPS
logP
-0.33
ChemAxon
IUPAC Name
{[(2R,3S,4R,5R)-4-methoxy-3-methyl-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy}phosphonic acid
ChemAxon
Traditional IUPAC Name
[(2R,3S,4R,5R)-4-methoxy-3-methyl-5-(5-methyl-2,4-dioxo-3H-pyrimidin-1-yl)oxolan-2-yl]methoxyphosphonic acid
ChemAxon
Molecular Weight
350.2616
ChemAxon
Monoisotopic Weight
350.087902106
ChemAxon
SMILES
CO[C@@H]1[C@@H](C)[C@H](COP(O)(O)=O)O[C@H]1N1C=C(C)C(=O)NC1=O
ChemAxon
Molecular Formula
C12H19N2O8P
ChemAxon
InChI
InChI=1S/C12H19N2O8P/c1-6-4-14(12(16)13-10(6)15)11-9(20-3)7(2)8(22-11)5-21-23(17,18)19/h4,7-9,11H,5H2,1-3H3,(H,13,15,16)(H2,17,18,19)/t7-,8-,9+,11+/m0/s1
ChemAxon
InChIKey
InChIKey=MCXXETKRWYMFCI-WYOJIJJFSA-N
ChemAxon
Polar Surface Area (PSA)
134.63
ChemAxon
Refractivity
75.87
ChemAxon
Polarizability
31.56
ChemAxon
Rotatable Bond Count
5
ChemAxon
H Bond Acceptor Count
7
ChemAxon
H Bond Donor Count
3
ChemAxon
pKa (strongest acidic)
1.3
ChemAxon
pKa (strongest basic)
-3.9
ChemAxon
Physiological Charge
-2
ChemAxon
Number of Rings
2
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
PubChem Compound
46936620
PubChem Substance
46504535
PDB
T23
"
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| rdf:type | |
| 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