ChemSpider 2D Image | 9-[(3xi)-5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-beta-D-threo-pentofuranosyl]-9H-purine-6,8-diamine | C10H17N6O13P3

9-[(3ξ)-5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-threo-pentofuranosyl]-9H-purine-6,8-diamine

  • Molecular FormulaC10H17N6O13P3
  • Average mass522.196 Da
  • Monoisotopic mass522.006653 Da
  • ChemSpider ID113618783

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

9-[(3ξ)-5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-threo-pentofuranosyl]-9H-purin-6,8-diamin [German] [ACD/IUPAC Name]
9-[(3ξ)-5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-threo-pentofuranosyl]-9H-purine-6,8-diamine [ACD/IUPAC Name]
9-[(3ξ)-5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-thréo-pentofuranosyl]-9H-purine-6,8-diamine [French] [ACD/IUPAC Name]
9H-Purine-6,8-diamine, 9-[(3ξ)-5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-β-D-threo-pentofuranosyl]- [ACD/Index Name]

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

Density: 2.8±0.1 g/cm3
Boiling Point: 1006.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 153.9±3.0 kJ/mol
Flash Point: 562.4±37.1 °C
Index of Refraction: 1.956
Molar Refractivity: 91.7±0.5 cm3
#H bond acceptors: 19
#H bond donors: 10
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -6.23
ACD/LogD (pH 5.5): -11.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -12.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 335 Å2
Polarizability: 36.4±0.5 10-24cm3
Surface Tension: 219.9±7.0 dyne/cm
Molar Volume: 189.1±7.0 cm3

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