ChemSpider 2D Image | 3-{[(3alpha,12beta,23R,24S,25S)-24-Methyl-26-oxo-12,23:23,26-diepoxylanost-8-en-3-yl]oxy}-3-oxopropanoic acid | C34H50O7

3-{[(3α,12β,23R,24S,25S)-24-Methyl-26-oxo-12,23:23,26-diepoxylanost-8-en-3-yl]oxy}-3-oxopropanoic acid

  • Molecular FormulaC34H50O7
  • Average mass570.757 Da
  • Monoisotopic mass570.355652 Da
  • ChemSpider ID78439385

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

3-{[(3α,12β,23R,24S,25S)-24-Methyl-26-oxo-12,23:23,26-diepoxylanost-8-en-3-yl]oxy}-3-oxopropanoic acid [ACD/IUPAC Name]
3-{[(3α,12β,23R,24S,25S)-24-Methyl-26-oxo-12,23:23,26-diepoxylanost-8-en-3-yl]oxy}-3-oxopropansäure [German] [ACD/IUPAC Name]
Acide 3-{[(3α,12β,23R,24S,25S)-24-méthyl-26-oxo-12,23:23,26-diépoxylanost-8-én-3-yl]oxy}-3-oxopropanoïque [French] [ACD/IUPAC Name]
Propanedioic acid, mono[(3α,12β,23R,24S,25S)-12,23:23,26-diepoxy-24-methyl-26-oxolanost-8-en-3-yl] ester [ACD/Index Name]
Fomitopsin F

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

Density: 1.2±0.1 g/cm3
Boiling Point: 670.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 107.5±6.0 kJ/mol
Flash Point: 206.5±25.0 °C
Index of Refraction: 1.559
Molar Refractivity: 153.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 7.43
ACD/LogD (pH 5.5): 4.34
ACD/BCF (pH 5.5): 260.82
ACD/KOC (pH 5.5): 314.51
ACD/LogD (pH 7.4): 3.36
ACD/BCF (pH 7.4): 27.43
ACD/KOC (pH 7.4): 33.07
Polar Surface Area: 99 Å2
Polarizability: 60.9±0.5 10-24cm3
Surface Tension: 48.6±5.0 dyne/cm
Molar Volume: 475.8±5.0 cm3

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