ChemSpider 2D Image | (2alpha,5alpha,7beta,9alpha,10beta,12alpha)-2,7,9,10-Tetraacetoxy-5,11-dihydroxy-13-oxo-12,17-epoxytax-4(20)-en-19-yl benzoate | C35H42O14

(2α,5α,7β,9α,10β,12α)-2,7,9,10-Tetraacetoxy-5,11-dihydroxy-13-oxo-12,17-epoxytax-4(20)-en-19-yl benzoate

  • Molecular FormulaC35H42O14
  • Average mass686.700 Da
  • Monoisotopic mass686.257446 Da
  • ChemSpider ID4885266
  • defined stereocentres - 10 of 11 defined stereocentres


More details:






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

(2α,5α,7β,9α,10β,12α)-2,7,9,10-Tetraacetoxy-5,11-dihydroxy-13-oxo-12,17-epoxytax-4(20)-en-19-yl benzoate [ACD/IUPAC Name]
(2α,5α,7β,9α,10β,12α)-2,7,9,10-Tetraacetoxy-5,11-dihydroxy-13-oxo-12,17-epoxytax-4(20)-en-19-yl-benzoat [German] [ACD/IUPAC Name]
1,4-Ethanobenzo[5,6]cycloocta[1,2-c]furan-13-one, 5,9,10,11-tetrakis(acetyloxy)-9a-[(benzoyloxy)methyl]tetradecahydro-7,11a-dihydroxy-1,3a-dimethyl-6-methylene-, (1S,4R,5R,5aR,7S,9S,9aR,10R,11S,11aR)- [ACD/Index Name]
Benzoate de (2α,5α,7β,9α,10β,12α)-2,7,9,10-tétraacétoxy-5,11-dihydroxy-13-oxo-12,17-époxytax-4(20)-én-19-yle [French] [ACD/IUPAC Name]
Taxinine M

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

Density: 1.4±0.1 g/cm3
Boiling Point: 740.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.3±3.0 kJ/mol
Flash Point: 225.4±26.4 °C
Index of Refraction: 1.583
Molar Refractivity: 166.5±0.4 cm3
#H bond acceptors: 14
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 2.88
ACD/LogD (pH 5.5): 2.60
ACD/BCF (pH 5.5): 55.26
ACD/KOC (pH 5.5): 614.92
ACD/LogD (pH 7.4): 2.60
ACD/BCF (pH 7.4): 55.26
ACD/KOC (pH 7.4): 614.89
Polar Surface Area: 198 Å2
Polarizability: 66.0±0.5 10-24cm3
Surface Tension: 60.9±5.0 dyne/cm
Molar Volume: 498.0±5.0 cm3

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