ChemSpider 2D Image | (2alpha,4alpha,5alpha,7beta,9alpha,10beta,13alpha)-1,5,13-Trihydroxy-4,20-epoxytax-11-ene-2,7,9,10-tetrayl tetraacetate | C28H40O12

(2α,4α,5α,7β,9α,10β,13α)-1,5,13-Trihydroxy-4,20-epoxytax-11-ene-2,7,9,10-tetrayl tetraacetate

  • Molecular FormulaC28H40O12
  • Average mass568.610 Da
  • Monoisotopic mass568.251953 Da
  • ChemSpider ID8706455

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(2α,4α,5α,7β,9α,10β,13α)-1,5,13-Trihydroxy-4,20-epoxytax-11-en-2,7,9,10-tetrayl-tetraacetat [German] [ACD/IUPAC Name]
(2α,4α,5α,7β,9α,10β,13α)-1,5,13-Trihydroxy-4,20-epoxytax-11-ene-2,7,9,10-tetrayl tetraacetate [ACD/IUPAC Name]
Tetraacétate de (2α,4α,5α,7β,9α,10β,13α)-1,5,13-trihydroxy-4,20-époxytax-11-ène-2,7,9,10-tétrayle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 649.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 109.7±6.0 kJ/mol
Flash Point: 205.1±25.0 °C
Index of Refraction: 1.565
Molar Refractivity: 136.6±0.4 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 0.87
ACD/LogD (pH 5.5): 1.37
ACD/BCF (pH 5.5): 6.41
ACD/KOC (pH 5.5): 131.62
ACD/LogD (pH 7.4): 1.37
ACD/BCF (pH 7.4): 6.41
ACD/KOC (pH 7.4): 131.61
Polar Surface Area: 178 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 58.0±5.0 dyne/cm
Molar Volume: 419.7±5.0 cm3

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