ChemSpider 2D Image | (2alpha)-24,25-Dihydroxy-3-oxolanost-8-en-2-yl methyl 3-hydroxy-3-methylpentanedioate | C37H60O8

(2α)-24,25-Dihydroxy-3-oxolanost-8-en-2-yl methyl 3-hydroxy-3-methylpentanedioate

  • Molecular FormulaC37H60O8
  • Average mass632.867 Da
  • Monoisotopic mass632.428833 Da
  • ChemSpider ID8969408

  • defined stereocentres - 7 of 9 defined stereocentres

More details:

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

(2α)-24,25-Dihydroxy-3-oxolanost-8-en-2-yl methyl 3-hydroxy-3-methylpentanedioate [ACD/IUPAC Name]
(2α)-24,25-Dihydroxy-3-oxolanost-8-en-2-yl-methyl-3-hydroxy-3-methylpentandioat [German] [ACD/IUPAC Name]
3-Hydroxy-3-méthylpentanedioate de (2α)-24,25-dihydroxy-3-oxolanost-8-én-2-yle et de méthyle [French] [ACD/IUPAC Name]
Pentanedioic acid, 3-hydroxy-3-methyl-, (2α)-24,25-dihydroxy-3-oxolanost-8-en-2-yl methyl ester [ACD/Index Name]
(3R)-1-((2R,5R,10S,13R,14R,17R)-17-((2R)-5,6-dihydroxy-6-methylheptan-2-yl)-4,4,10,13,14-pentamethyl-3-oxo-2,3,4,5,6,7,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-2-yl) 5-methyl 3-hydroxy-3-methylpentanedioate
CHEMBL500469

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

Density: 1.2±0.1 g/cm3
Boiling Point: 705.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.0±6.0 kJ/mol
Flash Point: 207.8±26.4 °C
Index of Refraction: 1.543
Molar Refractivity: 173.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 5.97
ACD/LogD (pH 5.5): 6.13
ACD/BCF (pH 5.5): 27033.78
ACD/KOC (pH 5.5): 51753.95
ACD/LogD (pH 7.4): 6.13
ACD/BCF (pH 7.4): 27033.72
ACD/KOC (pH 7.4): 51753.83
Polar Surface Area: 130 Å2
Polarizability: 68.6±0.5 10-24cm3
Surface Tension: 48.5±5.0 dyne/cm
Molar Volume: 549.2±5.0 cm3

Click to predict properties on the Chemicalize site


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