ChemSpider 2D Image | (1S)-1,4-Anhydro-1-[(5S)-2,6-dioxo-1,2,5,6-tetrahydro-5-pyrimidinyl]-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-D-ribitol | C9H15N2O15P3

(1S)-1,4-Anhydro-1-[(5S)-2,6-dioxo-1,2,5,6-tetrahydro-5-pyrimidinyl]-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-D-ribitol

  • Molecular FormulaC9H15N2O15P3
  • Average mass484.141 Da
  • Monoisotopic mass483.968536 Da
  • ChemSpider ID128947695

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(1S)-1,4-Anhydro-1-[(5S)-2,6-dioxo-1,2,5,6-tetrahydro-5-pyrimidinyl]-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-D-ribitol [German] [ACD/IUPAC Name]
(1S)-1,4-Anhydro-1-[(5S)-2,6-dioxo-1,2,5,6-tetrahydro-5-pyrimidinyl]-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-D-ribitol [ACD/IUPAC Name]
(1S)-1,4-Anhydro-1-[(5S)-2,6-dioxo-1,2,5,6-tétrahydro-5-pyrimidinyl]-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-D-ribitol [French] [ACD/IUPAC Name]
D-Ribitol, 1,4-anhydro-5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-1-C-[(5S)-1,2,5,6-tetrahydro-2,6-dioxo-5-pyrimidinyl]-, (1S)- [ACD/Index Name]
({[({[(2R,3S,4R,5S)-5-(2,6-dioxo-1,2,5,6-tetrahydropyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
({[(2R,3S,4R,5S)-5-(2,4-dioxo-3,5-dihydropyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxyphosphonic acid
1175-34-4 [RN]

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

Density: 2.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.807
Molar Refractivity: 80.5±0.5 cm3
#H bond acceptors: 17
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -5.53
ACD/LogD (pH 5.5): -11.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -12.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 297 Å2
Polarizability: 31.9±0.5 10-24cm3
Surface Tension: 182.1±7.0 dyne/cm
Molar Volume: 187.2±7.0 cm3

Click to predict properties on the Chemicalize site


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