ChemSpider 2D Image | 9-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-6-methylene-6,9-dihydro-1H-purin-2-amine | C11H18N5O13P3

9-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-6-methylene-6,9-dihydro-1H-purin-2-amine

  • Molecular FormulaC11H18N5O13P3
  • Average mass521.208 Da
  • Monoisotopic mass521.011414 Da
  • ChemSpider ID35031785

More details:

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

1H-Purin-2-amine, 6,9-dihydro-9-[5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]pentofuranosyl]-6-methylene- [ACD/Index Name]
9-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-6-methylen-6,9-dihydro-1H-purin-2-amin [German] [ACD/IUPAC Name]
9-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-6-methylene-6,9-dihydro-1H-purin-2-amine [ACD/IUPAC Name]
9-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-6-méthylène-6,9-dihydro-1H-purin-2-amine [French] [ACD/IUPAC Name]
({[({[5-(2-amino-6-methylidene-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
({[5-(2-amino-6-methylidene-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxyphosphonic acid

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

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

Density: 2.5±0.1 g/cm3
Boiling Point: 996.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 152.3±3.0 kJ/mol
Flash Point: 556.6±37.1 °C
Index of Refraction: 1.869
Molar Refractivity: 94.2±0.5 cm3
#H bond acceptors: 18
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -5.07
ACD/LogD (pH 5.5): -10.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 307 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 172.5±7.0 dyne/cm
Molar Volume: 207.6±7.0 cm3

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