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Search term: 23551311 (Found by CSID)
ChemSpider 2D Image | 3-[(Benzoyloxy)methyl]-2,5,6-trihydroxy-3-cyclohexen-1-yl benzoate | C21H20O7

3-[(Benzoyloxy)methyl]-2,5,6-trihydroxy-3-cyclohexen-1-yl benzoate

  • Molecular FormulaC21H20O7
  • Average mass384.379 Da
  • Monoisotopic mass384.120911 Da
  • ChemSpider ID23551311

More details:

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

3-[(Benzoyloxy)methyl]-2,5,6-trihydroxy-3-cyclohexen-1-yl benzoate [ACD/IUPAC Name]
3-[(Benzoyloxy)methyl]-2,5,6-trihydroxy-3-cyclohexen-1-yl-benzoat [German] [ACD/IUPAC Name]
5-Cyclohexene-1,2,3,4-tetrol, 5-[(benzoyloxy)methyl]-, 3-benzoate [ACD/Index Name]
Benzoate de 3-[(benzoyloxy)méthyl]-2,5,6-trihydroxy-3-cyclohexén-1-yle [French] [ACD/IUPAC Name]
3-[(benzoyloxy)methyl]-2,5,6-trihydroxycyclohex-3-en-1-yl benzoate
Piperenol A

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

Density: 1.4±0.1 g/cm3
Boiling Point: 596.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.4±3.0 kJ/mol
Flash Point: 211.0±23.6 °C
Index of Refraction: 1.648
Molar Refractivity: 99.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.64
ACD/LogD (pH 5.5): 2.93
ACD/BCF (pH 5.5): 99.19
ACD/KOC (pH 5.5): 934.73
ACD/LogD (pH 7.4): 2.93
ACD/BCF (pH 7.4): 99.19
ACD/KOC (pH 7.4): 934.73
Polar Surface Area: 113 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 69.6±5.0 dyne/cm
Molar Volume: 272.3±5.0 cm3

Click to predict properties on the Chemicalize site


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