ChemSpider 2D Image | Methyl (4xi,5xi,7xi,8xi,9xi,11beta,13beta,15beta)-2-(beta-D-allopyranosyloxy)-11,12-dihydroxy-3,16-dioxo-15-phenoxy-13,20-epoxypicras-1-en-21-oate | C33H40O15

Methyl (4ξ,5ξ,7ξ,8ξ,9ξ,11β,13β,15β)-2-(β-D-allopyranosyloxy)-11,12-dihydroxy-3,16-dioxo-15-phenoxy-13,20-epoxypicras-1-en-21-oate

  • Molecular FormulaC33H40O15
  • Average mass676.662 Da
  • Monoisotopic mass676.236694 Da
  • ChemSpider ID10142186
  • defined stereocentres - 10 of 16 defined stereocentres


More details:






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

(4ξ,5ξ,7ξ,8ξ,9ξ,11β,13β,15β)-2-(β-D-Allopyranosyloxy)-11,12-dihydroxy-3,16-dioxo-15-phénoxy-13,20-époxypicras-1-én-21-oate de méthyle [French] [ACD/IUPAC Name]
Methyl (4ξ,5ξ,7ξ,8ξ,9ξ,11β,13β,15β)-2-(β-D-allopyranosyloxy)-11,12-dihydroxy-3,16-dioxo-15-phenoxy-13,20-epoxypicras-1-en-21-oate [ACD/IUPAC Name]
Methyl-(4ξ,5ξ,7ξ,8ξ,9ξ,11β,13β,15β)-2-(β-D-allopyranosyloxy)-11,12-dihydroxy-3,16-dioxo-15-phenoxy-13,20-epoxypicras-1-en-21-oat [German] [ACD/IUPAC Name]
Picras-1-en-21-oic acid, 2-(β-D-allopyranosyloxy)-13,20-epoxy-11,12-dihydroxy-3,16-dioxo-15-phenoxy-, methyl ester, (4ξ,5ξ,7ξ,8ξ,9ξ,11β,13β,15β)- [ACD/Index Name]
Yadanzioside M

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 916.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.6±3.0 kJ/mol
Flash Point: 292.4±27.8 °C
Index of Refraction: 1.665
Molar Refractivity: 159.0±0.4 cm3
#H bond acceptors: 15
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 1.23
ACD/LogD (pH 5.5): 0.61
ACD/BCF (pH 5.5): 1.71
ACD/KOC (pH 5.5): 51.10
ACD/LogD (pH 7.4): 0.61
ACD/BCF (pH 7.4): 1.71
ACD/KOC (pH 7.4): 51.10
Polar Surface Area: 228 Å2
Polarizability: 63.0±0.5 10-24cm3
Surface Tension: 83.5±5.0 dyne/cm
Molar Volume: 428.2±5.0 cm3

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