ChemSpider 2D Image | Taxezopidine F | C28H40O10

Taxezopidine F

  • Molecular FormulaC28H40O10
  • Average mass536.611 Da
  • Monoisotopic mass536.262146 Da
  • ChemSpider ID8920244

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(2α,5α,7β,9α,10β,13α)-5,13-Dihydroxytaxa-4(20),11-dien-2,7,9,10-tetrayl-tetraacetat [German] [ACD/IUPAC Name]
(2α,5α,7β,9α,10β,13α)-5,13-Dihydroxytaxa-4(20),11-diene-2,7,9,10-tetrayl tetraacetate [ACD/IUPAC Name]
6,10-Methanobenzocyclodecene-1,3,5,8,11,12-hexol, 1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-9,12a,13,13-tetramethyl-4-methylene-, 1,5,11,12-tetraacetate, (1S,3S,4aR,5R,6R,8S,11R,12R,12aS)- [ACD/Index Name]
Taxezopidine F
Tetraacétate de (2α,5α,7β,9α,10β,13α)-5,13-dihydroxytaxa-4(20),11-diène-2,7,9,10-tétrayle [French] [ACD/IUPAC Name]
Acetic acid (1R,2R,3R,5S,7S,8S,9R,10R,13S)-2,7,9-triacetoxy-5,13-dihydroxy-8,12,15,15-tetramethyl-4-methylene-tricyclo[9.3.1.0*3,8*]pentadec-11-en-10-yl ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL290599/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 599.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.4±6.0 kJ/mol
Flash Point: 186.5±23.6 °C
Index of Refraction: 1.539
Molar Refractivity: 134.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.54
ACD/LogD (pH 5.5): 2.90
ACD/BCF (pH 5.5): 93.85
ACD/KOC (pH 5.5): 898.43
ACD/LogD (pH 7.4): 2.90
ACD/BCF (pH 7.4): 93.85
ACD/KOC (pH 7.4): 898.43
Polar Surface Area: 146 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 49.5±5.0 dyne/cm
Molar Volume: 430.3±5.0 cm3

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