ChemSpider 2D Image | (3beta,7beta,9xi)-3,7-Dihydroxycholest-5-en-19-yl acetate | C29H48O4

(3β,7β,9ξ)-3,7-Dihydroxycholest-5-en-19-yl acetate

  • Molecular FormulaC29H48O4
  • Average mass460.689 Da
  • Monoisotopic mass460.355255 Da
  • ChemSpider ID57641766
  • defined stereocentres - 8 of 9 defined stereocentres


More details:






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

(3β,7β,9ξ)-3,7-Dihydroxycholest-5-en-19-yl acetate [ACD/IUPAC Name]
(3β,7β,9ξ)-3,7-Dihydroxycholest-5-en-19-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (3β,7β,9ξ)-3,7-dihydroxycholest-5-én-19-yle [French] [ACD/IUPAC Name]
Cholest-5-ene-3,7,19-triol, 19-acetate, (3β,7β,9ξ)- [ACD/Index Name]
1403938-68-0 [RN]
Cholest-5-ene-3[β],7[β],19-triol 19-acetate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 562.0±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.1±6.0 kJ/mol
Flash Point: 174.4±19.4 °C
Index of Refraction: 1.537
Molar Refractivity: 132.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.94
ACD/LogD (pH 5.5): 6.08
ACD/BCF (pH 5.5): 24421.51
ACD/KOC (pH 5.5): 48123.04
ACD/LogD (pH 7.4): 6.08
ACD/BCF (pH 7.4): 24421.51
ACD/KOC (pH 7.4): 48123.04
Polar Surface Area: 67 Å2
Polarizability: 52.6±0.5 10-24cm3
Surface Tension: 44.1±5.0 dyne/cm
Molar Volume: 424.4±5.0 cm3

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