ChemSpider 2D Image | 4-Amino-1-(2-deoxy-5-O-phosphono-beta-D-threo-pentofuranosyl)-1,3,5-triazin-2(1H)-one | C8H13N4O7P

4-Amino-1-(2-deoxy-5-O-phosphono-β-D-threo-pentofuranosyl)-1,3,5-triazin-2(1H)-one

  • Molecular FormulaC8H13N4O7P
  • Average mass308.185 Da
  • Monoisotopic mass308.052185 Da
  • ChemSpider ID58781285

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1,3,5-Triazin-2(1H)-one, 4-amino-1-(2-deoxy-5-O-phosphono-β-D-threo-pentofuranosyl)- [ACD/Index Name]
4-Amino-1-(2-deoxy-5-O-phosphono-β-D-threo-pentofuranosyl)-1,3,5-triazin-2(1H)-one [ACD/IUPAC Name]
4-Amino-1-(2-desoxy-5-O-phosphono-β-D-threo-pentofuranosyl)-1,3,5-triazin-2(1H)-on [German] [ACD/IUPAC Name]
4-Amino-1-(2-désoxy-5-O-phosphono-β-D-thréo-pentofuranosyl)-1,3,5-triazin-2(1H)-one [French] [ACD/IUPAC Name]

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

Density: 2.2±0.1 g/cm3
Boiling Point: 623.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.9±6.0 kJ/mol
Flash Point: 331.0±34.3 °C
Index of Refraction: 1.796
Molar Refractivity: 60.2±0.5 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -2.68
ACD/LogD (pH 5.5): -6.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 177 Å2
Polarizability: 23.9±0.5 10-24cm3
Surface Tension: 126.0±7.0 dyne/cm
Molar Volume: 141.3±7.0 cm3

Click to predict properties on the Chemicalize site


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