ChemSpider 2D Image | (2alpha,5beta,7beta,10beta,13alpha)-4,10-Diacetoxy-1,13-dihydroxy-9-oxo-7-(beta-D-xylopyranosyloxy)-5,20-epoxytax-11-en-2-yl benzoate | C36H46O15

(2α,5β,7β,10β,13α)-4,10-Diacetoxy-1,13-dihydroxy-9-oxo-7-(β-D-xylopyranosyloxy)-5,20-epoxytax-11-en-2-yl benzoate

  • Molecular FormulaC36H46O15
  • Average mass718.741 Da
  • Monoisotopic mass718.283691 Da
  • ChemSpider ID9846855

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(2α,5β,7β,10β,13α)-4,10-Diacetoxy-1,13-dihydroxy-9-oxo-7-(β-D-xylopyranosyloxy)-5,20-epoxytax-11-en-2-yl benzoate [ACD/IUPAC Name]
(2α,5β,7β,10β,13α)-4,10-Diacetoxy-1,13-dihydroxy-9-oxo-7-(β-D-xylopyranosyloxy)-5,20-epoxytax-11-en-2-yl-benzoat [German] [ACD/IUPAC Name]
7,11-Methano-5H-cyclodeca[3,4]benz[1,2-b]oxet-5-one, 6,12b-bis(acetyloxy)-12-(benzoyloxy)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro-9,11-dihydroxy-4a,8,13,13-tetramethyl-4-(β-D-xylopyranosyloxy) -, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)- [ACD/Index Name]
Benzoate de (2α,5β,7β,10β,13α)-4,10-diacétoxy-1,13-dihydroxy-9-oxo-7-(β-D-xylopyranosyloxy)-5,20-époxytax-11-én-2-yle [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 830.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.5±3.0 kJ/mol
Flash Point: 254.8±27.8 °C
Index of Refraction: 1.621
Molar Refractivity: 173.3±0.4 cm3
#H bond acceptors: 15
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 4.41
ACD/LogD (pH 5.5): 1.19
ACD/BCF (pH 5.5): 4.71
ACD/KOC (pH 5.5): 105.58
ACD/LogD (pH 7.4): 1.19
ACD/BCF (pH 7.4): 4.71
ACD/KOC (pH 7.4): 105.58
Polar Surface Area: 225 Å2
Polarizability: 68.7±0.5 10-24cm3
Surface Tension: 71.0±5.0 dyne/cm
Molar Volume: 493.0±5.0 cm3

Click to predict properties on the Chemicalize site


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