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Search term: C1[C@]2([C@@H](C[C@H]([C@H]1O)O)C(=O)C=C1[C@@H]2CC[C@]2([C@]1(CC[C@@H]2[C@](C)([C@@H](CCC(C)C)OC(=O)CO)O)O)C)C (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | (2beta,3beta,5beta,22R)-2,3,14,20-Tetrahydroxy-6-oxocholest-7-en-22-yl glycolate | C29H46O8

(2β,3β,5β,22R)-2,3,14,20-Tetrahydroxy-6-oxocholest-7-en-22-yl glycolate

  • Molecular FormulaC29H46O8
  • Average mass522.671 Da
  • Monoisotopic mass522.319275 Da
  • ChemSpider ID10184124

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(2β,3β,5β,22R)-2,3,14,20-Tetrahydroxy-6-oxocholest-7-en-22-yl glycolate [ACD/IUPAC Name]
(2β,3β,5β,22R)-2,3,14,20-Tetrahydroxy-6-oxocholest-7-en-22-ylglycolat [German] [ACD/IUPAC Name]
Acetic acid, 2-hydroxy-, (2β,3β,5β,22R)-2,3,14,20-tetrahydroxy-6-oxocholest-7-en-22-yl ester [ACD/Index Name]
Glycolate de (2β,3β,5β,22R)-2,3,14,20-tétrahydroxy-6-oxocholest-7-én-22-yle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 696.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 116.6±6.0 kJ/mol
Flash Point: 222.9±25.0 °C
Index of Refraction: 1.579
Molar Refractivity: 137.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 1.34
ACD/LogD (pH 5.5): 2.12
ACD/BCF (pH 5.5): 23.94
ACD/KOC (pH 5.5): 337.89
ACD/LogD (pH 7.4): 2.12
ACD/BCF (pH 7.4): 23.94
ACD/KOC (pH 7.4): 337.89
Polar Surface Area: 145 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 58.9±5.0 dyne/cm
Molar Volume: 413.1±5.0 cm3

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