ChemSpider 2D Image | Methyl (3alpha,23R)-24-methyl-7,26-dioxo-23,26-epoxylanosta-8,11,24-trien-3-yl (3S)-3-hydroxy-3-methylpentanedioate | C38H54O8

Methyl (3α,23R)-24-methyl-7,26-dioxo-23,26-epoxylanosta-8,11,24-trien-3-yl (3S)-3-hydroxy-3-methylpentanedioate

  • Molecular FormulaC38H54O8
  • Average mass638.831 Da
  • Monoisotopic mass638.381897 Da
  • ChemSpider ID78442195

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3S)-3-Hydroxy-3-méthylpentanedioate de (3α,23R)-24-méthyl-7,26-dioxo-23,26-époxylanosta-8,11,24-trién-3-yle et de méthyle [French] [ACD/IUPAC Name]
Methyl (3α,23R)-24-methyl-7,26-dioxo-23,26-epoxylanosta-8,11,24-trien-3-yl (3S)-3-hydroxy-3-methylpentanedioate [ACD/IUPAC Name]
Methyl-(3α,23R)-24-methyl-7,26-dioxo-23,26-epoxylanosta-8,11,24-trien-3-yl-(3S)-3-hydroxy-3-methylpentandioat [German] [ACD/IUPAC Name]
Pentanedioic acid, 3-hydroxy-3-methyl-, (3α,23R)-23,26-epoxy-24-methyl-7,26-dioxolanosta-8,11,24-trien-3-yl methyl ester, (3S)- [ACD/Index Name]
Palustrisolide G

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

Density: 1.2±0.1 g/cm3
Boiling Point: 740.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 123.3±6.0 kJ/mol
Flash Point: 222.2±26.4 °C
Index of Refraction: 1.556
Molar Refractivity: 173.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.11
ACD/LogD (pH 5.5): 6.55
ACD/BCF (pH 5.5): 56483.01
ACD/KOC (pH 5.5): 87701.02
ACD/LogD (pH 7.4): 6.55
ACD/BCF (pH 7.4): 56482.89
ACD/KOC (pH 7.4): 87700.82
Polar Surface Area: 116 Å2
Polarizability: 68.9±0.5 10-24cm3
Surface Tension: 48.0±5.0 dyne/cm
Molar Volume: 540.6±5.0 cm3

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