ChemSpider 2D Image | (2alpha,4alpha,5alpha,7beta,8alpha,9alpha,10beta,13beta)-1,7,9-Trihydroxy-4,20-epoxytax-11-ene-2,5,10,13-tetrayl tetraacetate | C28H40O12

(2α,4α,5α,7β,8α,9α,10β,13β)-1,7,9-Trihydroxy-4,20-epoxytax-11-ene-2,5,10,13-tetrayl tetraacetate

  • Molecular FormulaC28H40O12
  • Average mass568.610 Da
  • Monoisotopic mass568.251953 Da
  • ChemSpider ID113610560
  • defined stereocentres - 10 of 10 defined stereocentres


More details:






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

(2α,4α,5α,7β,8α,9α,10β,13β)-1,7,9-Trihydroxy-4,20-epoxytax-11-en-2,5,10,13-tetrayl-tetraacetat [German] [ACD/IUPAC Name]
(2α,4α,5α,7β,8α,9α,10β,13β)-1,7,9-Trihydroxy-4,20-epoxytax-11-ene-2,5,10,13-tetrayl tetraacetate [ACD/IUPAC Name]
Tetraacétate de (2α,4α,5α,7β,8α,9α,10β,13β)-1,7,9-trihydroxy-4,20-époxytax-11-ène-2,5,10,13-tétrayle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 633.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 107.3±6.0 kJ/mol
Flash Point: 199.0±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: -0.05
ACD/LogD (pH 5.5): 0.73
ACD/BCF (pH 5.5): 2.10
ACD/KOC (pH 5.5): 59.09
ACD/LogD (pH 7.4): 0.73
ACD/BCF (pH 7.4): 2.10
ACD/KOC (pH 7.4): 59.09
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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