ChemSpider 2D Image | (2alpha,5alpha,9alpha,10beta)-2,4,5-Trihydroxy-13-oxotax-11-ene-9,10,20-triyl triacetate | C26H38O10

(2α,5α,9α,10β)-2,4,5-Trihydroxy-13-oxotax-11-ene-9,10,20-triyl triacetate

  • Molecular FormulaC26H38O10
  • Average mass510.574 Da
  • Monoisotopic mass510.246490 Da
  • ChemSpider ID23302631

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2α,5α,9α,10β)-2,4,5-Trihydroxy-13-oxotax-11-en-9,10,20-triyl-triacetat [German] [ACD/IUPAC Name]
(2α,5α,9α,10β)-2,4,5-Trihydroxy-13-oxotax-11-ene-9,10,20-triyl triacetate [ACD/IUPAC Name]
6,10-Methanobenzocyclodecen-8(2H)-one, 11,12-bis(acetyloxy)-4-[(acetyloxy)methyl]-1,3,4,4a,5,6,7,11,12,12a-decahydro-3,4,5-trihydroxy-9,12a,13,13-tetramethyl-, (3S,4S,4aR,5R,6R,11R,12R,12aR)- [ACD/Index Name]
Triacétate de (2α,5α,9α,10β)-2,4,5-trihydroxy-13-oxotax-11-ène-9,10,20-triyle [French] [ACD/IUPAC Name]
[(1R,2R,3R,4S,5S,8R,9R,10R)-9,10-bis(acetyloxy)-2,4,5-trihydroxy-8,12,15,15-tetramethyl-13-oxotricyclo[9.3.1.03,8]pentadec-11-en-4-yl]methyl acetate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 610.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.0±6.0 kJ/mol
Flash Point: 195.4±25.0 °C
Index of Refraction: 1.553
Molar Refractivity: 125.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 1.62
ACD/LogD (pH 5.5): 1.86
ACD/BCF (pH 5.5): 15.26
ACD/KOC (pH 5.5): 244.85
ACD/LogD (pH 7.4): 1.86
ACD/BCF (pH 7.4): 15.26
ACD/KOC (pH 7.4): 244.85
Polar Surface Area: 157 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 55.2±5.0 dyne/cm
Molar Volume: 393.5±5.0 cm3

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