ChemSpider 2D Image | 6-iodomethylcholesterol | C28H47IO

6-iodomethylcholesterol

  • Molecular FormulaC28H47IO
  • Average mass526.577 Da
  • Monoisotopic mass526.267151 Da
  • ChemSpider ID20087574
  • defined stereocentres - 8 of 8 defined stereocentres


More details:






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

(3β)-6-(Iodmethyl)cholest-5-en-3-ol [German] [ACD/IUPAC Name]
(3β)-6-(Iodomethyl)cholest-5-en-3-ol [ACD/IUPAC Name]
(3β)-6-(Iodométhyl)cholest-5-én-3-ol [French] [ACD/IUPAC Name]
6-iodomethylcholesterol
86522-55-6 [RN]
Cholest-5-en-3-ol, 6-(iodomethyl)-, (3β)- [ACD/Index Name]
68232-36-0 [RN]
6-β-IODOMETHYLNORCHOLESTEROL

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

6B3QJ94C7P [DBID]
UNII:6B3QJ94C7P [DBID]
UNII-6B3QJ94C7P [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 531.7±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 92.9±6.0 kJ/mol
Flash Point: 275.4±25.4 °C
Index of Refraction: 1.556
Molar Refractivity: 137.3±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 10.84
ACD/LogD (pH 5.5): 9.72
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 4597960.50
ACD/LogD (pH 7.4): 9.72
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 4597960.50
Polar Surface Area: 20 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 41.6±5.0 dyne/cm
Molar Volume: 427.2±5.0 cm3

Click to predict properties on the Chemicalize site






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