ChemSpider 2D Image | (3beta)-Cholest-5-en-3-yl 3-iodo-2,6-dimethylbenzoate | C36H53IO2

(3β)-Cholest-5-en-3-yl 3-iodo-2,6-dimethylbenzoate

  • Molecular FormulaC36H53IO2
  • Average mass644.709 Da
  • Monoisotopic mass644.309021 Da
  • ChemSpider ID19982563

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3β)-Cholest-5-en-3-yl 3-iodo-2,6-dimethylbenzoate [ACD/IUPAC Name]
(3β)-Cholest-5-en-3-yl-3-iod-2,6-dimethylbenzoat [German] [ACD/IUPAC Name]
3-Iodo-2,6-diméthylbenzoate de (3β)-cholest-5-én-3-yle [French] [ACD/IUPAC Name]
Benzoic acid, 3-iodo-2,6-dimethyl-, (3β)-cholest-5-en-3-yl ester [ACD/Index Name]
124784-15-2 [RN]
cholesteryl 2,6-dimethyl-3-iodobenzoate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 626.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.8±3.0 kJ/mol
Flash Point: 332.8±31.5 °C
Index of Refraction: 1.572
Molar Refractivity: 171.8±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 14.71
ACD/LogD (pH 5.5): 12.57
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.57
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 26 Å2
Polarizability: 68.1±0.5 10-24cm3
Surface Tension: 44.2±5.0 dyne/cm
Molar Volume: 522.0±5.0 cm3

Click to predict properties on the Chemicalize site


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