ChemSpider 2D Image | 2-Amino-7-methyl-9-[(4xi)-D-erythro-pentofuranosyl]-7,9-dihydro-1H-purine-6,8-dione | C11H15N5O6

2-Amino-7-methyl-9-[(4ξ)-D-erythro-pentofuranosyl]-7,9-dihydro-1H-purine-6,8-dione

  • Molecular FormulaC11H15N5O6
  • Average mass313.267 Da
  • Monoisotopic mass313.102234 Da
  • ChemSpider ID23201791

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

2-Amino-7-methyl-9-[(4ξ)-D-erythro-pentofuranosyl]-7,9-dihydro-1H-purin-6,8-dion [German] [ACD/IUPAC Name]
2-Amino-7-methyl-9-[(4ξ)-D-erythro-pentofuranosyl]-7,9-dihydro-1H-purine-6,8-dione [ACD/IUPAC Name]
2-Amino-7-méthyl-9-[(4ξ)-D-érythro-pentofuranosyl]-7,9-dihydro-1H-purine-6,8-dione [French] [ACD/IUPAC Name]
8H-Purin-8-one, 2-amino-7,9-dihydro-6-hydroxy-7-methyl-9-[(4ξ)-D-erythro-pentofuranosyl]- [ACD/Index Name]
2-Amino-9-((3R,4S)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-7-methyl-7,9-dihydro-1H-purine-6,8-dione

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

Density: 1.8±0.1 g/cm3
Boiling Point: 692.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.5±3.0 kJ/mol
Flash Point: 372.4±34.3 °C
Index of Refraction: 1.773
Molar Refractivity: 71.0±0.3 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: -2.52
ACD/LogD (pH 5.5): -4.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 166 Å2
Polarizability: 28.1±0.5 10-24cm3
Surface Tension: 133.4±3.0 dyne/cm
Molar Volume: 170.3±3.0 cm3

Click to predict properties on the Chemicalize site


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