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Search term: KJIGLXGIVLBXCF-UOQFGJKXSA-N (Found by InChIKey (full match))

ChemSpider 2D Image | (3beta)-7-Hydroperoxycholest-5-en-3-ol | C27H46O3

(3β)-7-Hydroperoxycholest-5-en-3-ol

  • Molecular FormulaC27H46O3
  • Average mass418.652 Da
  • Monoisotopic mass418.344696 Da
  • ChemSpider ID65998318
  • defined stereocentres - 8 of 9 defined stereocentres


More details:






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

(3β)-7-Hydroperoxycholest-5-en-3-ol [German] [ACD/IUPAC Name]
(3β)-7-Hydroperoxycholest-5-en-3-ol [ACD/IUPAC Name]
(3β)-7-Hydroperoxycholest-5-én-3-ol [French] [ACD/IUPAC Name]
Cholest-5-en-3-ol, 7-hydroperoxy-, (3β)- [ACD/Index Name]
7-hydroperoxycholesterol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 534.2±39.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.2±6.0 kJ/mol
Flash Point: 276.8±27.1 °C
Index of Refraction: 1.536
Molar Refractivity: 123.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 8.83
ACD/LogD (pH 5.5): 8.20
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 687829.13
ACD/LogD (pH 7.4): 8.20
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 687753.56
Polar Surface Area: 50 Å2
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 42.3±5.0 dyne/cm
Molar Volume: 395.3±5.0 cm3

Click to predict properties on the Chemicalize site






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