ChemSpider 2D Image | 3-{[(3alpha,12alpha,23S)-12-Hydroxy-24-methyl-26-oxo-23,26-epoxylanosta-8,24-dien-3-yl]oxy}-3-oxopropanoic acid | C34H50O7

3-{[(3α,12α,23S)-12-Hydroxy-24-methyl-26-oxo-23,26-epoxylanosta-8,24-dien-3-yl]oxy}-3-oxopropanoic acid

  • Molecular FormulaC34H50O7
  • Average mass570.757 Da
  • Monoisotopic mass570.355652 Da
  • ChemSpider ID78442191

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

3-{[(3α,12α,23S)-12-Hydroxy-24-methyl-26-oxo-23,26-epoxylanosta-8,24-dien-3-yl]oxy}-3-oxopropanoic acid [ACD/IUPAC Name]
3-{[(3α,12α,23S)-12-Hydroxy-24-methyl-26-oxo-23,26-epoxylanosta-8,24-dien-3-yl]oxy}-3-oxopropansäure [German] [ACD/IUPAC Name]
Acide 3-{[(3α,12α,23S)-12-hydroxy-24-méthyl-26-oxo-23,26-époxylanosta-8,24-dién-3-yl]oxy}-3-oxopropanoïque [French] [ACD/IUPAC Name]
Propanedioic acid, mono[(3α,12α,23S)-23,26-epoxy-12-hydroxy-24-methyl-26-oxolanosta-8,24-dien-3-yl] ester [ACD/Index Name]
Palustrisolide D

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

Density: 1.2±0.1 g/cm3
Boiling Point: 695.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 116.4±6.0 kJ/mol
Flash Point: 214.5±25.0 °C
Index of Refraction: 1.562
Molar Refractivity: 155.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 7.09
ACD/LogD (pH 5.5): 4.12
ACD/BCF (pH 5.5): 177.35
ACD/KOC (pH 5.5): 238.84
ACD/LogD (pH 7.4): 3.14
ACD/BCF (pH 7.4): 18.60
ACD/KOC (pH 7.4): 25.05
Polar Surface Area: 110 Å2
Polarizability: 61.4±0.5 10-24cm3
Surface Tension: 49.6±5.0 dyne/cm
Molar Volume: 477.9±5.0 cm3

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