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

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

  • Molecular FormulaC28H40O12
  • Average mass568.610 Da
  • Monoisotopic mass568.251953 Da
  • ChemSpider ID4475420

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(2α,5β,7β,9β,10β,13α)-1,7,9-Trihydroxy-5,20-epoxytax-11-en-2,4,10,13-tetrayl-tetraacetat [German] [ACD/IUPAC Name]
(2α,5β,7β,9β,10β,13α)-1,7,9-Trihydroxy-5,20-epoxytax-11-ene-2,4,10,13-tetrayl tetraacetate [ACD/IUPAC Name]
7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete-4,5,6,9,11,12,12b-heptol, 2a,3,4,4a,5,6,9,10,12,12a-decahydro-4a,8,13,13-tetramethyl-, 6,9,12,12b-tetraacetate, (2aR,4S,4aS,5S,6R,9S,11S,12S,12aR,12bS)- [ACD/Index Name]
Tetraacétate de (2α,5β,7β,9β,10β,13α)-1,7,9-trihydroxy-5,20-époxytax-11-ène-2,4,10,13-tétrayle [French] [ACD/IUPAC Name]
7,9-Deacetylbaccatin IV

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

Density: 1.4±0.1 g/cm3
Boiling Point: 633.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 107.4±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: 0.92
ACD/LogD (pH 5.5): 1.27
ACD/BCF (pH 5.5): 5.47
ACD/KOC (pH 5.5): 117.40
ACD/LogD (pH 7.4): 1.27
ACD/BCF (pH 7.4): 5.47
ACD/KOC (pH 7.4): 117.39
Polar Surface Area: 175 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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