ChemSpider 2D Image | (2R,3S,5R)-5-(5-Formyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3-hydroxytetrahydro-2-furanyl dihydrogen phosphate | C9H11N2O9P

(2R,3S,5R)-5-(5-Formyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3-hydroxytetrahydro-2-furanyl dihydrogen phosphate

  • Molecular FormulaC9H11N2O9P
  • Average mass322.165 Da
  • Monoisotopic mass322.020203 Da
  • ChemSpider ID23310630
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(2R,3S,5R)-5-(5-Formyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3-hydroxytetrahydro-2-furanyl dihydrogen phosphate [ACD/IUPAC Name]
(2R,3S,5R)-5-(5-Formyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3-hydroxytetrahydro-2-furanyldihydrogenphosphat [German] [ACD/IUPAC Name]
(2R,3S,5R)-5-(5-formyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-hydroxytetrahydrofuran-2-yl dihydrogen phosphate
5-Pyrimidinecarboxaldehyde, 1,2,3,4-tetrahydro-2,4-dioxo-1-[(2R,4S,5R)-tetrahydro-4-hydroxy-5-(phosphonooxy)-2-furanyl]- [ACD/Index Name]
Dihydrogénophosphate de (2R,3S,5R)-5-(5-formyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3-hydroxytétrahydro-2-furanyle [French] [ACD/IUPAC Name]
(2R,3S,5R)-5-(5-formyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-hydroxy-tetrahydrofuran-2-yl dihydrogen phosphate
10.1016/j.bmc.2007.01.021

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.646
Molar Refractivity: 62.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -2.93
ACD/LogD (pH 5.5): -6.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 173 Å2
Polarizability: 24.7±0.5 10-24cm3
Surface Tension: 103.2±5.0 dyne/cm
Molar Volume: 171.3±5.0 cm3

Click to predict properties on the Chemicalize site






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