Found 1 result

Search term: C1[C@]2([C@@H](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)C)O)C (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | (2beta,3beta,5beta,11alpha,22S)-2,3,11,14,20,22-Hexahydroxycholest-7-en-6-one | C27H44O7

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

  • Molecular FormulaC27H44O7
  • Average mass480.634 Da
  • Monoisotopic mass480.308716 Da
  • ChemSpider ID24698017

  • 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)-2,3,11,14,20,22-Hexahydroxycholest-7-en-6-on [German] [ACD/IUPAC Name]
(2β,3β,5β,11α,22S)-2,3,11,14,20,22-Hexahydroxycholest-7-en-6-one [ACD/IUPAC Name]
(2β,3β,5β,11α,22S)-2,3,11,14,20,22-Hexahydroxycholest-7-én-6-one [French] [ACD/IUPAC Name]
Cholest-7-en-6-one, 2,3,11,14,20,22-hexahydroxy-, (2β,3β,5β,11α,22S)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL477336/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 677.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.7±6.0 kJ/mol
Flash Point: 377.3±28.0 °C
Index of Refraction: 1.595
Molar Refractivity: 127.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 0.55
ACD/LogD (pH 5.5): 0.93
ACD/BCF (pH 5.5): 2.98
ACD/KOC (pH 5.5): 75.97
ACD/LogD (pH 7.4): 0.93
ACD/BCF (pH 7.4): 2.98
ACD/KOC (pH 7.4): 75.97
Polar Surface Area: 138 Å2
Polarizability: 50.6±0.5 10-24cm3
Surface Tension: 61.7±5.0 dyne/cm
Molar Volume: 376.0±5.0 cm3

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