ChemSpider 2D Image | 9-[(2xi)-2-Amino-2-deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-alpha-D-threo-pentofuranosyl]-9H-purin-6-amine | C10H17N6O12P3

9-[(2ξ)-2-Amino-2-deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-α-D-threo-pentofuranosyl]-9H-purin-6-amine

  • Molecular FormulaC10H17N6O12P3
  • Average mass506.196 Da
  • Monoisotopic mass506.011719 Da
  • ChemSpider ID115041652

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

9-[(2ξ)-2-Amino-2-deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-α-D-threo-pentofuranosyl]-9H-purin-6-amine [ACD/IUPAC Name]
9-[(2ξ)-2-Amino-2-desoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-α-D-threo-pentofuranosyl]-9H-purin-6-amin [German] [ACD/IUPAC Name]
9-[(2ξ)-2-Amino-2-désoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-α-D-thréo-pentofuranosyl]-9H-purin-6-amine [French] [ACD/IUPAC Name]
9H-Purin-6-amine, 9-[(2ξ)-2-amino-2-deoxy-5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-α-D-threo-pentofuranosyl]- [ACD/Index Name]

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

Density: 2.6±0.1 g/cm3
Boiling Point: 936.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 142.7±3.0 kJ/mol
Flash Point: 520.1±37.1 °C
Index of Refraction: 1.923
Molar Refractivity: 90.9±0.5 cm3
#H bond acceptors: 18
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -5.02
ACD/LogD (pH 5.5): -10.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 314 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 201.1±7.0 dyne/cm
Molar Volume: 191.9±7.0 cm3

Click to predict properties on the Chemicalize site


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