ChemSpider 2D Image | (5R,6S,7S,8S)-8-Acetoxy-1,6,12-trihydroxy-2,3,10,11-tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydrodibenzo[a,c][8]annulen-5-yl benzoate | C31H34O11

(5R,6S,7S,8S)-8-Acetoxy-1,6,12-trihydroxy-2,3,10,11-tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydrodibenzo[a,c][8]annulen-5-yl benzoate

  • Molecular FormulaC31H34O11
  • Average mass582.595 Da
  • Monoisotopic mass582.210083 Da
  • ChemSpider ID20576742

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(5R,6S,7S,8S)-8-Acetoxy-1,6,12-trihydroxy-2,3,10,11-tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydrodibenzo[a,c][8]annulen-5-yl benzoate [ACD/IUPAC Name]
(5R,6S,7S,8S)-8-Acetoxy-1,6,12-trihydroxy-2,3,10,11-tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydrodibenzo[a,c][8]annulen-5-yl-benzoat [German] [ACD/IUPAC Name]
Benzoate de (5R,6S,7S,8S)-8-acétoxy-1,6,12-trihydroxy-2,3,10,11-tétraméthoxy-6,7-diméthyl-5,6,7,8-tétrahydrodibenzo[a,c][8]annulén-5-yle [French] [ACD/IUPAC Name]
Dibenzo[a,c]cyclooctene-1,5,6,8,12-pentol, 5,6,7,8-tetrahydro-2,3,10,11-tetramethoxy-6,7-dimethyl-, 8-acetate 5-benzoate, (5R,6S,7S,8S)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 730.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.0±3.0 kJ/mol
Flash Point: 233.6±26.4 °C
Index of Refraction: 1.627
Molar Refractivity: 149.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.92
ACD/LogD (pH 5.5): 3.51
ACD/BCF (pH 5.5): 273.67
ACD/KOC (pH 5.5): 1931.33
ACD/LogD (pH 7.4): 3.43
ACD/BCF (pH 7.4): 226.42
ACD/KOC (pH 7.4): 1597.88
Polar Surface Area: 150 Å2
Polarizability: 59.3±0.5 10-24cm3
Surface Tension: 65.9±5.0 dyne/cm
Molar Volume: 421.8±5.0 cm3

Click to predict properties on the Chemicalize site


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