ChemSpider 2D Image | 9-[(3xi)-2-Deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl)-beta-D-glycero-pentofuranosyl]-9H-purin-6-amine | C11H18N5O11P3

9-[(3ξ)-2-Deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl)-β-D-glycero-pentofuranosyl]-9H-purin-6-amine

  • Molecular FormulaC11H18N5O11P3
  • Average mass489.209 Da
  • Monoisotopic mass489.021576 Da
  • ChemSpider ID57426595

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

9-[(3ξ)-2-Deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl)-β-D-glycero-pentofuranosyl]-9H-purin-6-amine [ACD/IUPAC Name]
9-[(3ξ)-2-Desoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl)-β-D-glycero-pentofuranosyl]-9H-purin-6-amin [German] [ACD/IUPAC Name]
9-[(3ξ)-2-Désoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]méthyl}phosphoryl)-β-D-glycéro-pentofuranosyl]-9H-purin-6-amine [French] [ACD/IUPAC Name]
9H-Purin-6-amine, 9-[(3ξ)-2-deoxy-5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]methyl]phosphinyl]-β-D-glycero-pentofuranosyl]- [ACD/Index Name]
138998-91-1 (free acid)
dAMPCPP
dApCpp

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

Density: 2.4±0.1 g/cm3
Boiling Point: 930.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 141.8±3.0 kJ/mol
Flash Point: 516.6±37.1 °C
Index of Refraction: 1.859
Molar Refractivity: 92.2±0.5 cm3
#H bond acceptors: 16
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -5.63
ACD/LogD (pH 5.5): -11.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 279 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 166.0±7.0 dyne/cm
Molar Volume: 204.8±7.0 cm3

Click to predict properties on the Chemicalize site


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