ChemSpider 2D Image | 9-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-6-imino-6,9-dihydro-1H-purin-1-ol | C10H16N5O14P3

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

  • Molecular FormulaC10H16N5O14P3
  • Average mass523.180 Da
  • Monoisotopic mass522.990662 Da
  • ChemSpider ID57491323

More details:

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

6H-Purin-6-imine, 1,9-dihydro-1-hydroxy-9-[5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]pentofuranosyl]- [ACD/Index Name]
9-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-6-imino-6,9-dihydro-1H-purin-1-ol [German] [ACD/IUPAC Name]
9-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-6-imino-6,9-dihydro-1H-purin-1-ol [ACD/IUPAC Name]
9-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-6-imino-6,9-dihydro-1H-purin-1-ol [French] [ACD/IUPAC Name]
17670-17-6 [RN]

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

Density: 2.7±0.1 g/cm3
Boiling Point: 1005.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 153.6±3.0 kJ/mol
Flash Point: 561.7±37.1 °C
Index of Refraction: 1.907
Molar Refractivity: 91.6±0.5 cm3
#H bond acceptors: 19
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -6.06
ACD/LogD (pH 5.5): -12.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -13.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 316 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 205.6±7.0 dyne/cm
Molar Volume: 195.7±7.0 cm3

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