ChemSpider 2D Image | 2-(6-Amino-9H-purin-9-yl)-1,4-anhydro-2-deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-D-arabinitol | C10H16N5O12P3

2-(6-Amino-9H-purin-9-yl)-1,4-anhydro-2-deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-D-arabinitol

  • Molecular FormulaC10H16N5O12P3
  • Average mass491.182 Da
  • Monoisotopic mass491.000824 Da
  • ChemSpider ID23293351

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2-(6-Amino-9H-purin-9-yl)-1,4-anhydro-2-deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-D-arabinitol [ACD/IUPAC Name]
2-(6-Amino-9H-purin-9-yl)-1,4-anhydro-2-desoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-D-arabinitol [German] [ACD/IUPAC Name]
2-(6-Amino-9H-purin-9-yl)-1,4-anhydro-2-désoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-D-arabinitol [French] [ACD/IUPAC Name]
D-Arabinitol, 2-(6-amino-9H-purin-9-yl)-1,4-anhydro-2-deoxy-5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]- [ACD/Index Name]
6-O-allyl-4-deoxy-4-(adenin-9-yl)-2,5-anhydro-Lmannitol-1- triphosphate

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

Density: 2.5±0.1 g/cm3
Boiling Point: 913.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.1±3.0 kJ/mol
Flash Point: 506.1±37.1 °C
Index of Refraction: 1.874
Molar Refractivity: 89.0±0.5 cm3
#H bond acceptors: 17
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -4.74
ACD/LogD (pH 5.5): -10.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 288 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 180.6±7.0 dyne/cm
Molar Volume: 195.2±7.0 cm3

Click to predict properties on the Chemicalize site


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