Found 1 result

Search term: C1[C@]2([C@@](C[C@H]([C@H]1O)O)(C(=O)C=C1[C@@H]2[C@@H](C[C@]2([C@]1(CC[C@@H]2[C@](C)([C@@H](CCC(C)(C)O)O)O)O)C)O)O)C (Found by conversion of search term to chemical structure (connectivity match))
ChemSpider 2D Image | (2beta,3beta,5beta,11alpha,22S)-2,3,5,11,14,20,22,25-Octahydroxycholest-7-en-6-one | C27H44O9

(2β,3β,5β,11α,22S)-2,3,5,11,14,20,22,25-Octahydroxycholest-7-en-6-one

  • Molecular FormulaC27H44O9
  • Average mass512.633 Da
  • Monoisotopic mass512.298523 Da
  • ChemSpider ID68897878

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(2β,3β,5β,11α,22S)-2,3,5,11,14,20,22,25-Octahydroxycholest-7-en-6-on [German] [ACD/IUPAC Name]
(2β,3β,5β,11α,22S)-2,3,5,11,14,20,22,25-Octahydroxycholest-7-en-6-one [ACD/IUPAC Name]
(2β,3β,5β,11α,22S)-2,3,5,11,14,20,22,25-Octahydroxycholest-7-én-6-one [French] [ACD/IUPAC Name]
Cholest-7-en-6-one, 2,3,5,11,14,20,22,25-octahydroxy-, (2β,3β,5β,11α,22S)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 771.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 128.0±6.0 kJ/mol
Flash Point: 434.0±29.4 °C
Index of Refraction: 1.625
Molar Refractivity: 130.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 8
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -1.81
ACD/LogD (pH 5.5): -0.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.08
ACD/LogD (pH 7.4): -0.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.08
Polar Surface Area: 179 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 73.7±5.0 dyne/cm
Molar Volume: 370.1±5.0 cm3

Click to predict properties on the Chemicalize site


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