ChemSpider 2D Image | (3beta,6beta)-6-(Iodomethyl)-3-methoxy-19-norcholest-5(10)-ene | C28H47IO

(3β,6β)-6-(Iodomethyl)-3-methoxy-19-norcholest-5(10)-ene

  • Molecular FormulaC28H47IO
  • Average mass526.577 Da
  • Monoisotopic mass526.267151 Da
  • ChemSpider ID168626

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3β,6β)-6-(Iodmethyl)-3-methoxy-19-norcholest-5(10)-en [German] [ACD/IUPAC Name]
(3β,6β)-6-(Iodomethyl)-3-methoxy-19-norcholest-5(10)-ene [ACD/IUPAC Name]
(3β,6β)-6-(Iodométhyl)-3-méthoxy-19-norcholest-5(10)-ène [French] [ACD/IUPAC Name]
Estr-5(10)-ene, 17-[(1R)-1,5-dimethylhexyl]-6-(iodomethyl)-3-methoxy-, (3β,6β,17β)- [ACD/Index Name]
19-Norcholest-5(10)-ene, 6-(iodomethyl)-3-methoxy-, (3β,6β)
3 SS-METHOXY-6-SS-IODOMETHYL-19-NORCHOLEST-5(10)ENE
3-Mimnce
3β-Methoxy-6-β-iodomethyl-19-norcholest-5(10)ene
70240-78-7 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 530.6±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.6±3.0 kJ/mol
Flash Point: 274.7±28.2 °C
Index of Refraction: 1.543
Molar Refractivity: 137.5±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 10.91
ACD/LogD (pH 5.5): 9.82
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 5223479.50
ACD/LogD (pH 7.4): 9.82
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 5223479.50
Polar Surface Area: 9 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 39.0±5.0 dyne/cm
Molar Volume: 436.1±5.0 cm3

Click to predict properties on the Chemicalize site


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