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Search term: 35014835 (Found by CSID)
ChemSpider 2D Image | 4-[(Benzoyloxy)methyl]-4,5,6-trihydroxy-2-cyclohexen-1-yl benzoate | C21H20O7

4-[(Benzoyloxy)methyl]-4,5,6-trihydroxy-2-cyclohexen-1-yl benzoate

  • Molecular FormulaC21H20O7
  • Average mass384.379 Da
  • Monoisotopic mass384.120911 Da
  • ChemSpider ID35014835

More details:

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

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

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

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

Density: 1.4±0.1 g/cm3
Boiling Point: 545.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.7±3.0 kJ/mol
Flash Point: 190.5±23.6 °C
Index of Refraction: 1.650
Molar Refractivity: 99.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.75
ACD/LogD (pH 5.5): 2.62
ACD/BCF (pH 5.5): 57.74
ACD/KOC (pH 5.5): 634.57
ACD/LogD (pH 7.4): 2.62
ACD/BCF (pH 7.4): 57.74
ACD/KOC (pH 7.4): 634.56
Polar Surface Area: 113 Å2
Polarizability: 39.4±0.5 10-24cm3
Surface Tension: 70.4±5.0 dyne/cm
Molar Volume: 272.2±5.0 cm3

Click to predict properties on the Chemicalize site


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