ChemSpider 2D Image | 2-Amino-7-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-4-thiopentofuranosyl]-3,7-dihydro-6H-purin-6-one | C10H16N5O13P3S

2-Amino-7-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-4-thiopentofuranosyl]-3,7-dihydro-6H-purin-6-one

  • Molecular FormulaC10H16N5O13P3S
  • Average mass539.246 Da
  • Monoisotopic mass538.967834 Da
  • ChemSpider ID8522659

More details:

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

2-Amino-7-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-4-thiopentofuranosyl]-3,7-dihydro-6H-purin-6-on [German] [ACD/IUPAC Name]
2-Amino-7-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-4-thiopentofuranosyl]-3,7-dihydro-6H-purin-6-one [ACD/IUPAC Name]
2-Amino-7-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-4-thiopentofuranosyl]-3,7-dihydro-6H-purin-6-one [French] [ACD/IUPAC Name]
6H-Purin-6-one, 2-amino-3,7-dihydro-7-[5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-4-thiopentofuranosyl]- [ACD/Index Name]

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

Density: 2.7±0.1 g/cm3
Boiling Point: 1009.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 154.3±3.0 kJ/mol
Flash Point: 564.0±37.1 °C
Index of Refraction: 1.974
Molar Refractivity: 97.1±0.5 cm3
#H bond acceptors: 18
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -4.35
ACD/LogD (pH 5.5): -10.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 340 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 215.3±7.0 dyne/cm
Molar Volume: 197.7±7.0 cm3

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