ChemSpider 2D Image | 4-Amino-1-[(2xi)-5-O-phosphono-beta-D-threo-pentofuranosyl]-1,3,5-triazin-2(1H)-one | C8H13N4O8P

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

  • Molecular FormulaC8H13N4O8P
  • Average mass324.185 Da
  • Monoisotopic mass324.047089 Da
  • ChemSpider ID58782060

  • defined stereocentres - 3 of 4 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-[(2ξ)-5-O-phosphono-β-D-threo-pentofuranosyl]- [ACD/Index Name]
4-Amino-1-[(2ξ)-5-O-phosphono-β-D-threo-pentofuranosyl]-1,3,5-triazin-2(1H)-on [German] [ACD/IUPAC Name]
4-Amino-1-[(2ξ)-5-O-phosphono-β-D-threo-pentofuranosyl]-1,3,5-triazin-2(1H)-one [ACD/IUPAC Name]
2226-72-4 [RN]
5-Azacytidine 5'-monophosphate

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

Density: 2.3±0.1 g/cm3
Boiling Point: 668.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.4±6.0 kJ/mol
Flash Point: 358.1±34.3 °C
Index of Refraction: 1.833
Molar Refractivity: 61.0±0.5 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -2.07
ACD/LogD (pH 5.5): -6.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 197 Å2
Polarizability: 24.2±0.5 10-24cm3
Surface Tension: 142.8±7.0 dyne/cm
Molar Volume: 138.6±7.0 cm3

Click to predict properties on the Chemicalize site


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