ChemSpider 2D Image | NORCHOLESTENOL IODOMETHYL | C27H45IO

NORCHOLESTENOL IODOMETHYL

  • Molecular FormulaC27H45IO
  • Average mass512.550 Da
  • Monoisotopic mass512.251526 Da
  • ChemSpider ID64782

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3β,6β)-6-(Iodmethyl)-19-norcholest-5(10)-en-3-ol [German] [ACD/IUPAC Name]
(3β,6β)-6-(Iodomethyl)-19-norcholest-5(10)-en-3-ol [ACD/IUPAC Name]
(3β,6β)-6-(Iodométhyl)-19-norcholest-5(10)-én-3-ol [French] [ACD/IUPAC Name]
19-Norcholest-5(10)-en-3-ol, 6-(iodomethyl)-, (3β,6β)-
55623-03-5 [RN]
6β-Iodomethyl-19-norcholest-5(10)-en-3β-ol
Estr-5(10)-en-3-ol, 17-[(1R)-1,5-dimethylhexyl]-6-(iodomethyl)-, (3β,6β,17β)- [ACD/Index Name]
NORCHOLESTENOL IODOMETHYL
(3S,6R,8S,9S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-6-(iodomethyl)-13-methyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol
(3S,6R,8S,9S,13R,14S,17R)-6-(iodomethyl)-13-methyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol
More...

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

H2M0WI52MC [DBID]
UNII:H2M0WI52MC [DBID]
UNII-H2M0WI52MC [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 543.3±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.5±6.0 kJ/mol
Flash Point: 282.4±25.4 °C
Index of Refraction: 1.558
Molar Refractivity: 132.6±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 10.23
ACD/LogD (pH 5.5): 9.25
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2564945.50
ACD/LogD (pH 7.4): 9.25
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2564945.50
Polar Surface Area: 20 Å2
Polarizability: 52.6±0.5 10-24cm3
Surface Tension: 42.0±5.0 dyne/cm
Molar Volume: 411.2±5.0 cm3

Click to predict properties on the Chemicalize site


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