ChemSpider 2D Image | (3alpha,5beta,7beta)-3,7-Bis[(3-carboxypropanoyl)oxy]cholan-24-oic acid | C32H48O10

(3α,5β,7β)-3,7-Bis[(3-carboxypropanoyl)oxy]cholan-24-oic acid

  • Molecular FormulaC32H48O10
  • Average mass592.718 Da
  • Monoisotopic mass592.324768 Da
  • ChemSpider ID165530
  • defined stereocentres - 10 of 10 defined stereocentres


More details:






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

(3α,5β,7β)-3,7-Bis[(3-carboxypropanoyl)oxy]cholan-24-oic acid [ACD/IUPAC Name]
(3α,5β,7β)-3,7-Bis[(3-carboxypropanoyl)oxy]cholan-24-säure [German] [ACD/IUPAC Name]
Acide (3α,5β,7β)-3,7-bis[(3-carboxypropanoyl)oxy]cholan-24-oïque [French] [ACD/IUPAC Name]
Butanedioic acid, 1,1'-[(3α,5β,7β)-24-hydroxy-24-oxocholane-3,7-diyl] ester [ACD/Index Name]
103767-93-7 [RN]
4-METHYLPHENYL(3-AMINOPHENYL)SULFURAMIDOITE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 749.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 118.9±6.0 kJ/mol
Flash Point: 234.6±25.0 °C
Index of Refraction: 1.554
Molar Refractivity: 150.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 5.68
ACD/LogD (pH 5.5): 1.95
ACD/BCF (pH 5.5): 3.28
ACD/KOC (pH 5.5): 10.90
ACD/LogD (pH 7.4): -0.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 165 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 56.6±5.0 dyne/cm
Molar Volume: 469.6±5.0 cm3

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