ChemSpider 2D Image | [(1R,2S,3S,5S)-2,5-Dihydroxy-3-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)cyclopentyl]methyl dihydrogen phosphate | C11H17N2O8P

[(1R,2S,3S,5S)-2,5-Dihydroxy-3-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)cyclopentyl]methyl dihydrogen phosphate

  • Molecular FormulaC11H17N2O8P
  • Average mass336.235 Da
  • Monoisotopic mass336.072000 Da
  • ChemSpider ID25058085
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

[(1R,2S,3S,5S)-2,5-Dihydroxy-3-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)cyclopentyl]methyl dihydrogen phosphate [ACD/IUPAC Name]
[(1R,2S,3S,5S)-2,5-Dihydroxy-3-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)cyclopentyl]methyldihydrogenphosphat [German] [ACD/IUPAC Name]
2,4(1H,3H)-Pyrimidinedione, 1-[(1S,2S,3R,4S)-2,4-dihydroxy-3-[(phosphonooxy)methyl]cyclopentyl]-5-methyl- [ACD/Index Name]
Dihydrogénophosphate de [(1R,2S,3S,5S)-2,5-dihydroxy-3-(5-méthyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)cyclopentyl]méthyle [French] [ACD/IUPAC Name]

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

Density: 1.7±0.0 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.621
Molar Refractivity: 70.6±0.0 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 166 Å2
Polarizability: 28.0±0.0 10-24cm3
Surface Tension: 86.3±0.0 dyne/cm
Molar Volume: 200.7±0.0 cm3

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