ChemSpider 2D Image | (8R,9R,13S,14S)-2,4-Dibromo-13-methyl-6,7,8,9,11,12,13,14,15,16-decahydrospiro[cyclopenta[a]phenanthrene-17,2'-[1,3]dioxolan]-3-ol | C20H24Br2O3

(8R,9R,13S,14S)-2,4-Dibromo-13-methyl-6,7,8,9,11,12,13,14,15,16-decahydrospiro[cyclopenta[a]phenanthrene-17,2'-[1,3]dioxolan]-3-ol

  • Molecular FormulaC20H24Br2O3
  • Average mass472.211 Da
  • Monoisotopic mass470.009216 Da
  • ChemSpider ID107442540

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(8R,9R,13S,14S)-2,4-Dibromo-13-methyl-6,7,8,9,11,12,13,14,15,16-decahydrospiro[cyclopenta[a]phenanthrene-17,2'-[1,3]dioxolan]-3-ol [ACD/IUPAC Name]
Spiro[17H-cyclopenta[a]phenanthrene-17,2'-[1,3]dioxolan]-3-ol, 2,4-dibromo-6,7,8,9,11,12,13,14,15,16-decahydro-13-methyl-, (8R,9R,13S,14S)- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 484.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.8±3.0 kJ/mol
Flash Point: 246.8±28.7 °C
Index of Refraction: 1.660
Molar Refractivity: 103.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 6.07
ACD/LogD (pH 5.5): 5.39
ACD/BCF (pH 5.5): 7315.66
ACD/KOC (pH 5.5): 20201.08
ACD/LogD (pH 7.4): 5.01
ACD/BCF (pH 7.4): 3029.74
ACD/KOC (pH 7.4): 8366.16
Polar Surface Area: 39 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 62.2±5.0 dyne/cm
Molar Volume: 281.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement