ChemSpider 2D Image | (2alpha,5alpha,7beta,9alpha,10beta,12alpha)-11-Hydroxy-13-oxo-12,17-epoxytax-4(20)-ene-2,5,7,9,10-pentayl pentaacetate | C30H40O13

(2α,5α,7β,9α,10β,12α)-11-Hydroxy-13-oxo-12,17-epoxytax-4(20)-ene-2,5,7,9,10-pentayl pentaacetate

  • Molecular FormulaC30H40O13
  • Average mass608.631 Da
  • Monoisotopic mass608.246887 Da
  • ChemSpider ID4884502

  • 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)-11-Hydroxy-13-oxo-12,17-epoxytax-4(20)-en-2,5,7,9,10-pentayl-pentaacetat [German] [ACD/IUPAC Name]
(2α,5α,7β,9α,10β,12α)-11-Hydroxy-13-oxo-12,17-epoxytax-4(20)-ene-2,5,7,9,10-pentayl pentaacetate [ACD/IUPAC Name]
1,4-Ethanobenzo[5,6]cycloocta[1,2-c]furan-13-one, 5,7,9,10,11-pentakis(acetyloxy)tetradecahydro-11a-hydroxy-1,3a,9a-trimethyl-6-methylene-, (1S,4R,5R,5aR,7S,9S,9aS,10R,11S,11aR)- [ACD/Index Name]
Pentaacétate de (2α,5α,7β,9α,10β,12α)-11-hydroxy-13-oxo-12,17-époxytax-4(20)-ène-2,5,7,9,10-pentayle [French] [ACD/IUPAC Name]
5α-Acetyl-5α-decinnamoyltaxagifine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 643.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.8±6.0 kJ/mol
Flash Point: 198.4±25.0 °C
Index of Refraction: 1.544
Molar Refractivity: 144.9±0.4 cm3
#H bond acceptors: 13
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 2.13
ACD/LogD (pH 5.5): 2.13
ACD/BCF (pH 5.5): 24.26
ACD/KOC (pH 5.5): 341.16
ACD/LogD (pH 7.4): 2.13
ACD/BCF (pH 7.4): 24.26
ACD/KOC (pH 7.4): 341.15
Polar Surface Area: 178 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 53.4±5.0 dyne/cm
Molar Volume: 458.9±5.0 cm3

Click to predict properties on the Chemicalize site


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