CDP-glucose
Basic information
- CAS
2906-23-2- Standard SMILES
Nc1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)c(=O)n1- InChIKey
CGPHZDRCVSLMCF-JZMIEXBBSA-N- Molecular formula
- C15H25N3O16P2
- Average molar mass
- 565.32 g/mol
- Monoisotopic mass
- 565.07100571
Overview
CDP-alpha-D-glucose is a CDP-D-glucose having alpha-configuration at the anomeric centre. It is a conjugate acid of a CDP-alpha-D-glucose(2-).
Names & identifiers
- Preferred name
- CDP-glucose
- IUPAC
- [[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate
- English name
- [5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-[hydroxy-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-phosphoryl]oxy-phosphinic acid
- Molecular formula
- C15H25N3O16P2
- Molecular weight
- 0
Names & synonyms
CDP-glucose{[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[hydroxy({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})phosphoryl]oxy})phosphinic acid(((2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl)methoxy)(((hydroxy((((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy))phosphoryl)oxy))phosphinic acidRefChem:1081302Cytidine diphosphate glucose2906-23-2C3MET5N4NRCytidine 5'-diphosphoglucoseUNII-C3MET5N4NR[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphateCytidine 5-(trihydrogen diphosphate) mono-D-glucosyl esterCDP-glc
Show more names
[5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-[hydroxy-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-phosphoryl]oxy-phosphinic acid
Properties
Computed structural properties
- XLogP
- -6.5
- Topological polar surface area
- 301 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 9
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 980
Experimental & physicochemical properties
Physical DescriptionSolid
Physicochemical properties
- FDA UNII
- 3 MET5N4NR · C3MET5N4NR
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Additional notes
DefinitionChEBI: CDP-alpha-D-glucose is a CDP-D-glucose having alpha-configuration at the anomeric centre. It is a conjugate acid of a CDP-alpha-D-glucose(2-).
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Compound notes
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