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

5-(Benzoylamino)-2-(2,3-di-O-benzoylpentofuranosyl)-1,2,4-triazin-3(2H)-one

  • Molecular FormulaC29H24N4O8
  • Average mass556.523 Da
  • Monoisotopic mass556.159424 Da
  • ChemSpider ID2954973

More details:

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

1,2,4-Triazin-3(2H)-one, 5-(benzoylamino)-2-(2,3-di-O-benzoylpentofuranosyl)- [ACD/Index Name]
5-(Benzoylamino)-2-(2,3-di-O-benzoylpentofuranosyl)-1,2,4-triazin-3(2H)-on [German] [ACD/IUPAC Name]
5-(Benzoylamino)-2-(2,3-di-O-benzoylpentofuranosyl)-1,2,4-triazin-3(2H)-one [ACD/IUPAC Name]
5-(Benzoylamino)-2-(2,3-di-O-benzoylpentofuranosyl)-1,2,4-triazin-3(2H)-one [French] [ACD/IUPAC Name]

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

CBDivE_010618 [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.673
Molar Refractivity: 145.0±0.5 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: -0.77
ACD/LogD (pH 5.5): 0.47
ACD/BCF (pH 5.5): 1.34
ACD/KOC (pH 5.5): 42.91
ACD/LogD (pH 7.4): 0.36
ACD/BCF (pH 7.4): 1.04
ACD/KOC (pH 7.4): 33.15
Polar Surface Area: 156 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 60.6±7.0 dyne/cm
Molar Volume: 386.8±7.0 cm3

Click to predict properties on the Chemicalize site


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