ChemSpider 2D Image | Methyl (13alpha,14beta,16beta,17alpha,24S)-16,24-dihydroxy-3-oxolanosta-7,25-dien-21-oate | C31H48O5

Methyl (13α,14β,16β,17α,24S)-16,24-dihydroxy-3-oxolanosta-7,25-dien-21-oate

  • Molecular FormulaC31H48O5
  • Average mass500.710 Da
  • Monoisotopic mass500.350189 Da
  • ChemSpider ID9320638

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(13α,14β,16β,17α,24S)-16,24-Dihydroxy-3-oxolanosta-7,25-dién-21-oate de méthyle [French] [ACD/IUPAC Name]
Lanosta-7,25-dien-21-oic acid, 16,24-dihydroxy-3-oxo-, methyl ester, (13α,14β,16β,17α,24S)- [ACD/Index Name]
Methyl (13α,14β,16β,17α,24S)-16,24-dihydroxy-3-oxolanosta-7,25-dien-21-oate [ACD/IUPAC Name]
Methyl-(13α,14β,16β,17α,24S)-16,24-dihydroxy-3-oxolanosta-7,25-dien-21-oat [German] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL464451/
Meliastatin 4

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

Density: 1.1±0.1 g/cm3
Boiling Point: 597.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 102.1±6.0 kJ/mol
Flash Point: 183.9±23.6 °C
Index of Refraction: 1.545
Molar Refractivity: 141.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.75
ACD/LogD (pH 5.5): 5.70
ACD/BCF (pH 5.5): 12676.48
ACD/KOC (pH 5.5): 30096.41
ACD/LogD (pH 7.4): 5.70
ACD/BCF (pH 7.4): 12676.48
ACD/KOC (pH 7.4): 30096.41
Polar Surface Area: 84 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 45.1±5.0 dyne/cm
Molar Volume: 448.1±5.0 cm3

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