ChemSpider 2D Image | Vulgaroside 24,25-diacetate | C29H44O8

Vulgaroside 24,25-diacetate

  • Molecular FormulaC29H44O8
  • Average mass520.655 Da
  • Monoisotopic mass520.303589 Da
  • ChemSpider ID8943626

  • defined stereocentres - 6 of 8 defined stereocentres

More details:

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

172616-87-4 [RN]
2(5H)-Furanone, 5-(acetyloxy)-4-[2-[(1R,2S,4aR,4bS,8aS,10aR)-2-[(acetyloxy)methyl]tetradecahydro-2-hydroxy-4b,8,8,10a-tetramethyl-1-phenanthrenyl]-1-hydroxyethyl]- [ACD/Index Name]
2(5H)-Furanone, 5-(acetyloxy)-4-[2-[2-[(acetyloxy)methyl]tetradecahydro-2-hydroxy-4b,8,8,10a-tetramethyl-1-phenanthrenyl]-1-hydroxyethyl]- [ACD/Index Name]
3-{2-[(13α,14α)-13-(Acetoxymethyl)-13-hydroxy-8-methylpodocarpan-14-yl]-1-hydroxyethyl}-5-oxo-2,5-dihydro-2-furanyl acetate [ACD/IUPAC Name]
3-{2-[(13α,14α)-13-(Acetoxymethyl)-13-hydroxy-8-methylpodocarpan-14-yl]-1-hydroxyethyl}-5-oxo-2,5-dihydro-2-furanyl-acetat [German] [ACD/IUPAC Name]
Acétate de 3-{2-[(13α,14α)-13-(acétoxyméthyl)-13-hydroxy-8-méthylpodocarpan-14-yl]-1-hydroxyéthyl}-5-oxo-2,5-dihydro-2-furanyle [French] [ACD/IUPAC Name]
Vulgaroside 24,25-diacetate
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL463166/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 634.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 107.4±6.0 kJ/mol
Flash Point: 200.1±25.0 °C
Index of Refraction: 1.549
Molar Refractivity: 136.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.27
ACD/LogD (pH 5.5): 4.82
ACD/BCF (pH 5.5): 2735.42
ACD/KOC (pH 5.5): 10041.91
ACD/LogD (pH 7.4): 4.82
ACD/BCF (pH 7.4): 2735.41
ACD/KOC (pH 7.4): 10041.91
Polar Surface Area: 119 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 50.5±5.0 dyne/cm
Molar Volume: 428.9±5.0 cm3

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