ChemSpider 2D Image | 1-[2-Deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-5-iodo-2,4(1H,3H)-pyrimidinedione | C9H14IN2O14P3

1-[2-Deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-5-iodo-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC9H14IN2O14P3
  • Average mass594.038 Da
  • Monoisotopic mass593.870239 Da
  • ChemSpider ID2598029

More details:

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

1-[2-Deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-5-iodo-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
1-[2-Desoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-5-iod-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
1-[2-Désoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-5-iodo-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
2,4(1H,3H)-Pyrimidinedione, 1-[2-deoxy-5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]pentofuranosyl]-5-iodo- [ACD/Index Name]

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

Density: 2.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.677
Molar Refractivity: 94.8±0.4 cm3
#H bond acceptors: 16
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -4.90
ACD/LogD (pH 5.5): -11.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 268 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 118.1±5.0 dyne/cm
Molar Volume: 251.9±5.0 cm3

Click to predict properties on the Chemicalize site


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