ChemSpider 2D Image | 2-[(4-Butylphenyl)amino]-9-[2-deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-1,9-dihydro-6H-purin-6-one | C20H28N5O13P3

2-[(4-Butylphenyl)amino]-9-[2-deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-1,9-dihydro-6H-purin-6-one

  • Molecular FormulaC20H28N5O13P3
  • Average mass639.383 Da
  • Monoisotopic mass639.089661 Da
  • ChemSpider ID11655708

More details:

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

2-[(4-Butylphenyl)amino]-9-[2-deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-1,9-dihydro-6H-purin-6-one [ACD/IUPAC Name]
2-[(4-Butylphenyl)amino]-9-[2-desoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-1,9-dihydro-6H-purin-6-on [German] [ACD/IUPAC Name]
2-[(4-Butylphényl)amino]-9-[2-désoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-1,9-dihydro-6H-purin-6-one [French] [ACD/IUPAC Name]
6H-Purin-6-one, 2-[(4-butylphenyl)amino]-9-[2-deoxy-5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]pentofuranosyl]-3,9-dihydro- [ACD/Index Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 953.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 145.4±3.0 kJ/mol
Flash Point: 530.5±37.1 °C
Index of Refraction: 1.745
Molar Refractivity: 134.3±0.5 cm3
#H bond acceptors: 18
#H bond donors: 7
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: -2.70
ACD/LogD (pH 5.5): -8.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 290 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 103.8±7.0 dyne/cm
Molar Volume: 331.3±7.0 cm3

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