ChemSpider 2D Image | 5-{[(5xi,17xi,20xi)-24,25-Dihydroxy-3-oxolanost-8-en-2-yl]oxy}-3-hydroxy-3-methyl-5-oxopentanoic acid | C36H58O8

5-{[(5ξ,17ξ,20ξ)-24,25-Dihydroxy-3-oxolanost-8-en-2-yl]oxy}-3-hydroxy-3-methyl-5-oxopentanoic acid

  • Molecular FormulaC36H58O8
  • Average mass618.841 Da
  • Monoisotopic mass618.413147 Da
  • ChemSpider ID24813236
  • defined stereocentres - 3 of 9 defined stereocentres


More details:






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

5-{[(5ξ,17ξ,20ξ)-24,25-Dihydroxy-3-oxolanost-8-en-2-yl]oxy}-3-hydroxy-3-methyl-5-oxopentanoic acid [ACD/IUPAC Name]
5-{[(5ξ,17ξ,20ξ)-24,25-Dihydroxy-3-oxolanost-8-en-2-yl]oxy}-3-hydroxy-3-methyl-5-oxopentansäure [German] [ACD/IUPAC Name]
Acide 5-{[(5ξ,17ξ,20ξ)-24,25-dihydroxy-3-oxolanost-8-én-2-yl]oxy}-3-hydroxy-3-méthyl-5-oxopentanoïque [French] [ACD/IUPAC Name]
Pentanedioic acid, 3-hydroxy-3-methyl-, mono[(5ξ,17ξ,20ξ)-24,25-dihydroxy-3-oxolanost-8-en-2-yl] ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 737.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 122.8±6.0 kJ/mol
Flash Point: 222.0±26.4 °C
Index of Refraction: 1.554
Molar Refractivity: 168.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.42
ACD/LogD (pH 5.5): 4.22
ACD/BCF (pH 5.5): 441.63
ACD/KOC (pH 5.5): 1089.09
ACD/LogD (pH 7.4): 2.47
ACD/BCF (pH 7.4): 7.73
ACD/KOC (pH 7.4): 19.07
Polar Surface Area: 141 Å2
Polarizability: 66.7±0.5 10-24cm3
Surface Tension: 51.7±5.0 dyne/cm
Molar Volume: 524.4±5.0 cm3

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