ChemSpider 2D Image | 3-Hydroxy-3-methyl-5-oxo-5-{[(2alpha,3beta,5xi,24R)-3,24,25-trihydroxylanost-8-en-2-yl]oxy}pentanoic acid | C36H60O8

3-Hydroxy-3-methyl-5-oxo-5-{[(2α,3β,5ξ,24R)-3,24,25-trihydroxylanost-8-en-2-yl]oxy}pentanoic acid

  • Molecular FormulaC36H60O8
  • Average mass620.857 Da
  • Monoisotopic mass620.428833 Da
  • ChemSpider ID8275951

  • defined stereocentres - 8 of 10 defined stereocentres

More details:

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

3-Hydroxy-3-methyl-5-oxo-5-{[(2α,3β,5ξ,24R)-3,24,25-trihydroxylanost-8-en-2-yl]oxy}pentanoic acid [ACD/IUPAC Name]
3-Hydroxy-3-methyl-5-oxo-5-{[(2α,3β,5ξ,24R)-3,24,25-trihydroxylanost-8-en-2-yl]oxy}pentansäure [German] [ACD/IUPAC Name]
Acide 3-hydroxy-3-méthyl-5-oxo-5-{[(2α,3β,5ξ,24R)-3,24,25-trihydroxylanost-8-én-2-yl]oxy}pentanoïque [French] [ACD/IUPAC Name]
Pentanedioic acid, 3-hydroxy-3-methyl-, mono[(2α,3β,5ξ,24R)-3,24,25-trihydroxylanost-8-en-2-yl] ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 738.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 123.0±6.0 kJ/mol
Flash Point: 221.6±26.4 °C
Index of Refraction: 1.559
Molar Refractivity: 169.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 5.35
ACD/LogD (pH 5.5): 4.31
ACD/BCF (pH 5.5): 516.96
ACD/KOC (pH 5.5): 1230.83
ACD/LogD (pH 7.4): 2.55
ACD/BCF (pH 7.4): 8.98
ACD/KOC (pH 7.4): 21.39
Polar Surface Area: 145 Å2
Polarizability: 67.2±0.5 10-24cm3
Surface Tension: 52.7±5.0 dyne/cm
Molar Volume: 525.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement