ChemSpider 2D Image | 4-Amino-1-(2,3,5-tri-O-benzoylpentofuranosyl)-1,3,5-triazin-2(1H)-one | C29H24N4O8

4-Amino-1-(2,3,5-tri-O-benzoylpentofuranosyl)-1,3,5-triazin-2(1H)-one

  • Molecular FormulaC29H24N4O8
  • Average mass556.523 Da
  • Monoisotopic mass556.159424 Da
  • ChemSpider ID287725

More details:

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

1,3,5-Triazin-2(1H)-one, 4-amino-1-(2,3,5-tri-O-benzoylpentofuranosyl)- [ACD/Index Name]
4-Amino-1-(2,3,5-tri-O-benzoylpentofuranosyl)-1,3,5-triazin-2(1H)-on [German] [ACD/IUPAC Name]
4-Amino-1-(2,3,5-tri-O-benzoylpentofuranosyl)-1,3,5-triazin-2(1H)-one [ACD/IUPAC Name]
4-Amino-1-(2,3,5-tri-O-benzoylpentofuranosyl)-1,3,5-triazin-2(1H)-one [French] [ACD/IUPAC Name]
1,3,5-Triazin-2(1H)-one,4-amino-1-(2,3,5-tri-O-benzoyl-β-D-ribofuranosyl)-
28998-36-9 [RN]
5-Azacytidine,2', 3',5'-tribenzoate
5-Azacytidine,2',3',5'-tribenzoate
s-Triazin-2(1H)-one, 4-amino-1-β-D-ribofuranosyl-, 2',3',5'-tribenzoate

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

NSC291931 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 709.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.8±3.0 kJ/mol
Flash Point: 383.1±35.7 °C
Index of Refraction: 1.667
Molar Refractivity: 144.4±0.5 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 1.77
ACD/LogD (pH 5.5): 1.86
ACD/BCF (pH 5.5): 15.24
ACD/KOC (pH 5.5): 244.35
ACD/LogD (pH 7.4): 1.86
ACD/BCF (pH 7.4): 15.29
ACD/KOC (pH 7.4): 245.12
Polar Surface Area: 159 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 60.0±7.0 dyne/cm
Molar Volume: 388.1±7.0 cm3

Click to predict properties on the Chemicalize site


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