ChemSpider 2D Image | (7R)-3-(5-O-Phosphono-beta-D-ribofuranosyl)-6,7-dihydro-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol | C9H14N5O8P

(7R)-3-(5-O-Phosphono-β-D-ribofuranosyl)-6,7-dihydro-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol

  • Molecular FormulaC9H14N5O8P
  • Average mass351.210 Da
  • Monoisotopic mass351.057983 Da
  • ChemSpider ID59053295

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(7R)-3-(5-O-Phosphono-β-D-ribofuranosyl)-6,7-dihydro-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol [German] [ACD/IUPAC Name]
(7R)-3-(5-O-Phosphono-β-D-ribofuranosyl)-6,7-dihydro-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol [ACD/IUPAC Name]
(7R)-3-(5-O-Phosphono-β-D-ribofuranosyl)-6,7-dihydro-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol [French] [ACD/IUPAC Name]
3H-1,2,3-Triazolo[4,5-d]pyrimidin-7-ol, 6,7-dihydro-3-(5-O-phosphono-β-D-ribofuranosyl)-, (7R)- [ACD/Index Name]

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

Density: 2.5±0.1 g/cm3
Boiling Point: 820.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 125.0±3.0 kJ/mol
Flash Point: 449.9±37.1 °C
Index of Refraction: 1.956
Molar Refractivity: 67.3±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): -6.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 202 Å2
Polarizability: 26.7±0.5 10-24cm3
Surface Tension: 162.2±7.0 dyne/cm
Molar Volume: 138.8±7.0 cm3

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