ChemSpider 2D Image | 1-{5-O-[({[(4-Formyl-5-hydroxy-6-methyl-3-pyridinyl)methoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]-D-ribofuranosyl}-2,4(1H,3H)-pyrimidinedione | C17H21N3O14P2

1-{5-O-[({[(4-Formyl-5-hydroxy-6-methyl-3-pyridinyl)methoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]-D-ribofuranosyl}-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC17H21N3O14P2
  • Average mass553.308 Da
  • Monoisotopic mass553.049866 Da
  • ChemSpider ID112609

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-{5-O-[({[(4-Formyl-5-hydroxy-6-methyl-3-pyridinyl)methoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]-D-ribofuranosyl}-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
1-{5-O-[({[(4-Formyl-5-hydroxy-6-methyl-3-pyridinyl)methoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]-D-ribofuranosyl}-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
1-{5-O-[({[(4-Formyl-5-hydroxy-6-méthyl-3-pyridinyl)méthoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]-D-ribofuranosyl}-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
2,4(1H,3H)-Pyrimidinedione, 1-[5-O-[[[[(4-formyl-5-hydroxy-6-methyl-3-pyridinyl)methoxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]-D-ribofuranosyl]- [ACD/Index Name]
{[(2R,3S,4R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[(4-formyl-5-hydroxy-6-methylpyridin-3-yl)methoxy](hydroxy)phosphoryl}oxy)phosphinic acid
97654-04-1 [RN]
Udp-pyridoxal
Uridine diphosphopyridoxal
Uridine, 5'-(trihydrogen diphosphate), (P')-((4-formyl-5-hydroxy-6-methyl-3-pyridinyl)methyl) ester

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.663
Molar Refractivity: 113.9±0.3 cm3
#H bond acceptors: 17
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -2.62
ACD/LogD (pH 5.5): -8.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 271 Å2
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 102.4±3.0 dyne/cm
Molar Volume: 307.5±3.0 cm3

Click to predict properties on the Chemicalize site


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