Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02554"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"Sulfoquinovose-Uridine-C1,5'-Diphosphate"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the pyrimidine nucleotide sugars. These are pyrimidine nucleotides bound to a saccharide derivative through the terminal phosphate group.
Pyrimidine Nucleotide Sugars
Organic Compounds
Organooxygen Compounds
Carbohydrates and Carbohydrate Conjugates
Glycosyl Compounds
Pyrimidine Ribonucleoside Diphosphates
Mixed Pentose/Hexose Disaccharides
Disaccharide Phosphates
Organic Pyrophosphates
Pyrimidones
Oxanes
Organic Phosphoric Acids
Hydropyrimidines
Organophosphate Esters
Tetrahydrofurans
Organic Sulfites
Oxolanes
Sulfonyls
Sulfonic Acids
Secondary Alcohols
1,2-Diols
Polyamines
Ethers
mixed pentose/hexose disaccharide
disaccharide phosphate
disaccharide
organic pyrophosphate
pyrimidone
oxane
hydropyrimidine
phosphoric acid ester
pyrimidine
organic phosphate
sulfonic acid
organic sulfite
sulfonic acid derivative
sulfonyl
tetrahydrofuran
oxolane
polyol
secondary alcohol
1,2-diol
ether
polyamine
organonitrogen compound
amine
alcohol
logP
-1.2
ALOGPS
logS
-1.4
ALOGPS
Water Solubility
2.45e+01 g/l
ALOGPS
logP
-5.3
ChemAxon
IUPAC Name
[(2R,3R,4R,5S,6R)-6-({[({[(2S,3R,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid
ChemAxon
Traditional IUPAC Name
[(2R,3R,4R,5S,6R)-6-[({[(2S,3R,4R,5R)-5-(2,4-dioxo-3H-pyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid
ChemAxon
Molecular Weight
630.366
ChemAxon
Monoisotopic Weight
630.01692031
ChemAxon
SMILES
O[C@H]1[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[C@H]2O[C@@H](CS(O)(=O)=O)[C@H](O)[C@@H](O)[C@@H]2O)O[C@H]([C@@H]1O)N1C=CC(=O)NC1=O
ChemAxon
Molecular Formula
C15H24N2O19P2S
ChemAxon
InChI
InChI=1S/C15H24N2O19P2S/c18-7-1-2-17(15(24)16-7)13-11(22)8(19)5(33-13)3-32-37(25,26)36-38(27,28)35-14-12(23)10(21)9(20)6(34-14)4-39(29,30)31/h1-2,5-6,8-14,19-23H,3-4H2,(H,25,26)(H,27,28)(H,16,18,24)(H,29,30,31)/t5-,6-,8-,9-,10+,11+,12-,13+,14+/m0/s1
ChemAxon
InChIKey
InChIKey=FQANCGQCBCUSMI-LJMZODOWSA-N
ChemAxon
Polar Surface Area (PSA)
325.68
ChemAxon
Refractivity
114.85
ChemAxon
Polarizability
51.32
ChemAxon
Rotatable Bond Count
10
ChemAxon
H Bond Acceptor Count
16
ChemAxon
H Bond Donor Count
9
ChemAxon
pKa (strongest acidic)
-1.3
ChemAxon
pKa (strongest basic)
-3.7
ChemAxon
Physiological Charge
-3
ChemAxon
Number of Rings
3
ChemAxon
Bioavailability
0
ChemAxon
MDDR-Like Rule
true
ChemAxon
PubChem Compound
46936423
PubChem Substance
46508966
PDB
USQ
"
|
| owl:sameAs |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object