ChemSpider 2D Image | 5-Amino-3-(2-deoxy-5-O-phosphonopentofuranosyl)-3,4-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one | C9H13N6O7P

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

  • Molecular FormulaC9H13N6O7P
  • Average mass348.209 Da
  • Monoisotopic mass348.058319 Da
  • ChemSpider ID32748361

More details:

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

5-Amino-3-(2-deoxy-5-O-phosphonopentofuranosyl)-3,4-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one [ACD/IUPAC Name]
5-Amino-3-(2-desoxy-5-O-phosphonopentofuranosyl)-3,4-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-on [German] [ACD/IUPAC Name]
5-Amino-3-(2-désoxy-5-O-phosphonopentofuranosyl)-3,4-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-(2-deoxy-5-O-phosphonopentofuranosyl)-3,4-dihydro- [ACD/Index Name]
4546-66-1 [RN]

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

Density: 2.5±0.1 g/cm3
Boiling Point: 812.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 123.8±3.0 kJ/mol
Flash Point: 444.9±37.1 °C
Index of Refraction: 1.983
Molar Refractivity: 68.4±0.5 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -2.37
ACD/LogD (pH 5.5): -6.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 204 Å2
Polarizability: 27.1±0.5 10-24cm3
Surface Tension: 166.6±7.0 dyne/cm
Molar Volume: 138.3±7.0 cm3

Click to predict properties on the Chemicalize site


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