ChemSpider 2D Image | (9R)-5,8,9-Trihydroxy-5-methyl-9-[(9R,10R,13R,17S)-2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]decyl bromoacetate (non-p referred name) | C32H51BrO9

(9R)-5,8,9-Trihydroxy-5-methyl-9-[(9R,10R,13R,17S)-2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]decyl bromoacetate (non-p referred name)

  • Molecular FormulaC32H51BrO9
  • Average mass659.646 Da
  • Monoisotopic mass658.271667 Da
  • ChemSpider ID114993

  • defined stereocentres - 5 of 11 defined stereocentres

More details:

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

(9R)-5,8,9-Trihydroxy-5-methyl-9-[(9R,10R,13R,17S)-2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]decyl bromoacetate (non-p referred name) [ACD/IUPAC Name]
(9R)-5,8,9-Trihydroxy-5-methyl-9-[(9R,10R,13R,17S)-2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]decyl-bromacetat (non-pre ferred name) [German] [ACD/IUPAC Name]
Bromoacétate de (9R)-5,8,9-trihydroxy-5-méthyl-9-[(9R,10R,13R,17S)-2,3,14-trihydroxy-10,13-diméthyl-6-oxo-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tétradécahydro-1H-cyclopenta[a]phénanthrén-17-yl]décyle (n on-preferred name) [French] [ACD/IUPAC Name]
123171-56-2 [RN]
2,3,14,20,22,25-hexahydroxy-26-(3-bromoacetoxypropyl)cholest-7-en-6-one
2-Hhbpco

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

Density: 1.4±0.1 g/cm3
Boiling Point: 806.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.5 mmHg at 25°C
Enthalpy of Vaporization: 133.5±6.0 kJ/mol
Flash Point: 441.6±34.3 °C
Index of Refraction: 1.597
Molar Refractivity: 160.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 0.61
ACD/LogD (pH 5.5): 1.77
ACD/BCF (pH 5.5): 13.10
ACD/KOC (pH 5.5): 219.41
ACD/LogD (pH 7.4): 1.77
ACD/BCF (pH 7.4): 13.10
ACD/KOC (pH 7.4): 219.41
Polar Surface Area: 165 Å2
Polarizability: 63.7±0.5 10-24cm3
Surface Tension: 63.9±5.0 dyne/cm
Molar Volume: 471.3±5.0 cm3

Click to predict properties on the Chemicalize site


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