ChemSpider 2D Image | (11beta,13alpha)-9-Hydroxybeyer-15-ene-11,17-diyl bis(4-bromobenzoate) | C34H38Br2O5

(11β,13α)-9-Hydroxybeyer-15-ene-11,17-diyl bis(4-bromobenzoate)

  • Molecular FormulaC34H38Br2O5
  • Average mass686.471 Da
  • Monoisotopic mass684.108582 Da
  • ChemSpider ID169697

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(11β,13α)-9-Hydroxybeyer-15-ene-11,17-diyl bis(4-bromobenzoate) [ACD/IUPAC Name]
Bis(4-bromobenzoate) de (11β,13α)-9-hydroxybeyer-15-ène-11,17-diyle [French] [ACD/IUPAC Name]
[(4R,9R,10R,11S,13R)-11-(4-Bromobenzoyl)oxy-10-hydroxy-5,5,9-trimethyl-13-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl]methyl 4-bromobenzoate
134513-14-7 [RN]
7,17-BBHB
7,17-bis(4-bromobenzoyloxy)-9-hydroxybeyerene
7β,17-Bis(4-bromobenzoyloxy)-9β-hydroxy-ent-beyerene

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

Density: 1.5±0.1 g/cm3
Boiling Point: 696.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.1±3.0 kJ/mol
Flash Point: 375.1±31.5 °C
Index of Refraction: 1.646
Molar Refractivity: 165.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 10.56
ACD/LogD (pH 5.5): 9.90
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 5825052.00
ACD/LogD (pH 7.4): 9.90
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 5825045.50
Polar Surface Area: 73 Å2
Polarizability: 65.7±0.5 10-24cm3
Surface Tension: 60.9±5.0 dyne/cm
Molar Volume: 456.9±5.0 cm3

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