ChemSpider 2D Image | 5-Amino-3-(2-O-phosphonopentofuranosyl)-3,7a-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one | C9H13N6O8P

5-Amino-3-(2-O-phosphonopentofuranosyl)-3,7a-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

  • Molecular FormulaC9H13N6O8P
  • Average mass364.209 Da
  • Monoisotopic mass364.053253 Da
  • ChemSpider ID95641123

More details:






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

5-Amino-3-(2-O-phosphonopentofuranosyl)-3,7a-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-on [German] [ACD/IUPAC Name]
5-Amino-3-(2-O-phosphonopentofuranosyl)-3,7a-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one [ACD/IUPAC Name]
5-Amino-3-(2-O-phosphonopentofuranosyl)-3,7a-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one [French] [ACD/IUPAC Name]
7H-1,2,3-Triazolo[4,5-d]pyrimidin-7-one, 5-amino-3,7a-dihydro-3-(2-O-phosphonopentofuranosyl)- [ACD/Index Name]

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

Density: 2.7±0.1 g/cm3
Boiling Point: 714.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 119.3±6.0 kJ/mol
Flash Point: 385.9±35.7 °C
Index of Refraction: 2.032
Molar Refractivity: 69.2±0.5 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -3.93
ACD/LogD (pH 5.5): -7.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 222 Å2
Polarizability: 27.4±0.5 10-24cm3
Surface Tension: 188.8±7.0 dyne/cm
Molar Volume: 135.5±7.0 cm3

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