ChemSpider 2D Image | 9-[2-Deoxy-4-ethynyl-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-2-fluoro-9H-purin-6-amine | C12H15FN5O12P3

9-[2-Deoxy-4-ethynyl-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-2-fluoro-9H-purin-6-amine

  • Molecular FormulaC12H15FN5O12P3
  • Average mass533.193 Da
  • Monoisotopic mass532.991394 Da
  • ChemSpider ID129320542

More details:

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

9-[2-Deoxy-4-ethynyl-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-2-fluoro-9H-purin-6-amine [ACD/IUPAC Name]
9-[2-Desoxy-4-ethinyl-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-2-fluor-9H-purin-6-amin [German] [ACD/IUPAC Name]
9-[2-Désoxy-4-éthynyl-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-2-fluoro-9H-purin-6-amine [French] [ACD/IUPAC Name]
9H-Purin-6-amine, 9-[2-deoxy-4-C-ethynyl-5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]pentofuranosyl]-2-fluoro- [ACD/Index Name]

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

Density: 2.3±0.1 g/cm3
Boiling Point: 944.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 143.9±3.0 kJ/mol
Flash Point: 524.8±37.1 °C
Index of Refraction: 1.780
Molar Refractivity: 98.4±0.5 cm3
#H bond acceptors: 17
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -3.52
ACD/LogD (pH 5.5): -10.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 288 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 135.4±7.0 dyne/cm
Molar Volume: 234.6±7.0 cm3

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