ChemSpider 2D Image | 2-Amino-1-methyl-9-(5-O-phosphono-beta-D-xylofuranosyl)-1,9-dihydro-6H-purine-6-thione | C11H16N5O7PS

2-Amino-1-methyl-9-(5-O-phosphono-β-D-xylofuranosyl)-1,9-dihydro-6H-purine-6-thione

  • Molecular FormulaC11H16N5O7PS
  • Average mass393.313 Da
  • Monoisotopic mass393.050812 Da
  • ChemSpider ID57491730

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2-Amino-1-methyl-9-(5-O-phosphono-β-D-xylofuranosyl)-1,9-dihydro-6H-purin-6-thion [German] [ACD/IUPAC Name]
2-Amino-1-methyl-9-(5-O-phosphono-β-D-xylofuranosyl)-1,9-dihydro-6H-purine-6-thione [ACD/IUPAC Name]
2-Amino-1-méthyl-9-(5-O-phosphono-β-D-xylofuranosyl)-1,9-dihydro-6H-purine-6-thione [French] [ACD/IUPAC Name]
6H-Purine-6-thione, 2-amino-1,9-dihydro-1-methyl-9-(5-O-phosphono-β-D-xylofuranosyl)- [ACD/Index Name]
65256-79-3 [RN]

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

Density: 2.2±0.1 g/cm3
Boiling Point: 839.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 127.9±3.0 kJ/mol
Flash Point: 461.6±37.1 °C
Index of Refraction: 1.885
Molar Refractivity: 82.6±0.5 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -1.76
ACD/LogD (pH 5.5): -6.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 218 Å2
Polarizability: 32.7±0.5 10-24cm3
Surface Tension: 116.3±7.0 dyne/cm
Molar Volume: 179.6±7.0 cm3

Click to predict properties on the Chemicalize site


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