ChemSpider 2D Image | 2-Amino-1-methyl-9-(5-O-phosphono-beta-D-glycero-pentofuranosyl)-1,9-dihydro-6H-purin-6-one | C11H16N5O8P

2-Amino-1-methyl-9-(5-O-phosphono-β-D-glycero-pentofuranosyl)-1,9-dihydro-6H-purin-6-one

  • Molecular FormulaC11H16N5O8P
  • Average mass377.247 Da
  • Monoisotopic mass377.073639 Da
  • ChemSpider ID57491352
  • defined stereocentres - 2 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-glycero-pentofuranosyl)-1,9-dihydro-6H-purin-6-on [German] [ACD/IUPAC Name]
2-Amino-1-methyl-9-(5-O-phosphono-β-D-glycero-pentofuranosyl)-1,9-dihydro-6H-purin-6-one [ACD/IUPAC Name]
2-Amino-1-méthyl-9-(5-O-phosphono-β-D-glycéro-pentofuranosyl)-1,9-dihydro-6H-purin-6-one [French] [ACD/IUPAC Name]
6H-Purin-6-one, 2-amino-1,9-dihydro-1-methyl-9-(5-O-phosphono-β-D-glycero-pentofuranosyl)- [ACD/Index Name]
20309-92-6 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.2±0.1 g/cm3
Boiling Point: 853.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 129.9±3.0 kJ/mol
Flash Point: 469.7±37.1 °C
Index of Refraction: 1.865
Molar Refractivity: 76.1±0.5 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -2.36
ACD/LogD (pH 5.5): -6.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 203 Å2
Polarizability: 30.2±0.5 10-24cm3
Surface Tension: 128.9±7.0 dyne/cm
Molar Volume: 168.2±7.0 cm3

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