ChemSpider 2D Image | 1-[2,3-Anhydro-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-2-thiopentofuranosyl]-5-methyl-2,4(1H,3H)-pyrimidinedione | C10H15N2O13P3S

1-[2,3-Anhydro-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-2-thiopentofuranosyl]-5-methyl-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC10H15N2O13P3S
  • Average mass496.218 Da
  • Monoisotopic mass495.950775 Da
  • ChemSpider ID95637567

More details:

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

1-[2,3-Anhydro-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-2-thiopentofuranosyl]-5-methyl-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
1-[2,3-Anhydro-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-2-thiopentofuranosyl]-5-methyl-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
1-[2,3-Anhydro-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-2-thiopentofuranosyl]-5-méthyl-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
2,4(1H,3H)-Pyrimidinedione, 1-[2,3-anhydro-5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-2-thiopentofuranosyl]-5-methyl- [ACD/Index Name]

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

Density: 2.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.641
Molar Refractivity: 90.9±0.3 cm3
#H bond acceptors: 15
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -4.50
ACD/LogD (pH 5.5): -10.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 273 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 100.7±3.0 dyne/cm
Molar Volume: 252.1±3.0 cm3

Click to predict properties on the Chemicalize site


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