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Search term: C1[C@]2([C@@H](C[C@H]([C@H]1OC(=O)C)O)C(=O)C=C3[C@@H]2[C@@H](C[C@]4([C@]3(CCC4[C@](C)([C@@H](CCC(C)C)O)O)O)C)O)C (Found by conversion of search term to chemical structure (connectivity match))
ChemSpider 2D Image | (2beta,3beta,5beta,11alpha,22R)-3,11,14,20,22-Pentahydroxy-6-oxocholest-7-en-2-yl acetate | C29H46O8

(2β,3β,5β,11α,22R)-3,11,14,20,22-Pentahydroxy-6-oxocholest-7-en-2-yl acetate

  • Molecular FormulaC29H46O8
  • Average mass522.671 Da
  • Monoisotopic mass522.319275 Da
  • ChemSpider ID129309414

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(2β,3β,5β,11α,22R)-3,11,14,20,22-Pentahydroxy-6-oxocholest-7-en-2-yl acetate [ACD/IUPAC Name]
(2β,3β,5β,11α,22R)-3,11,14,20,22-Pentahydroxy-6-oxocholest-7-en-2-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (2β,3β,5β,11α,22R)-3,11,14,20,22-pentahydroxy-6-oxocholest-7-én-2-yle [French] [ACD/IUPAC Name]
Cholest-7-en-6-one, 2-(acetyloxy)-3,11,14,20,22-pentahydroxy-, (2β,3β,5β,11α,22R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 688.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 115.4±6.0 kJ/mol
Flash Point: 220.0±25.0 °C
Index of Refraction: 1.578
Molar Refractivity: 137.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 0.82
ACD/LogD (pH 5.5): 1.32
ACD/BCF (pH 5.5): 5.96
ACD/KOC (pH 5.5): 124.84
ACD/LogD (pH 7.4): 1.32
ACD/BCF (pH 7.4): 5.96
ACD/KOC (pH 7.4): 124.84
Polar Surface Area: 145 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 58.1±5.0 dyne/cm
Molar Volume: 413.7±5.0 cm3

Click to predict properties on the Chemicalize site


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