ChemSpider 2D Image | (2alpha,3xi,5beta,7beta,10beta,13alpha)-4,13-Diacetoxy-1,7-dihydroxy-10-methoxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate | C32H40O11

(2α,3ξ,5β,7β,10β,13α)-4,13-Diacetoxy-1,7-dihydroxy-10-methoxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate

  • Molecular FormulaC32H40O11
  • Average mass600.653 Da
  • Monoisotopic mass600.257080 Da
  • ChemSpider ID8364413

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(2α,3ξ,5β,7β,10β,13α)-4,13-Diacetoxy-1,7-dihydroxy-10-methoxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate [ACD/IUPAC Name]
(2α,3ξ,5β,7β,10β,13α)-4,13-Diacetoxy-1,7-dihydroxy-10-methoxy-9-oxo-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, 9,12b-bis(acetyloxy)-12-(benzoyloxy)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-6-methoxy-4a,8,13,13-tetramethyl-, (2aR,4S,4aS,6R, 9S,11S,12S,12bS)- [ACD/Index Name]
Benzoate de (2α,3ξ,5β,7β,10β,13α)-4,13-diacétoxy-1,7-dihydroxy-10-méthoxy-9-oxo-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: 1.3±0.1 g/cm3
Boiling Point: 692.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.6±3.0 kJ/mol
Flash Point: 216.7±25.0 °C
Index of Refraction: 1.587
Molar Refractivity: 150.6±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 4.48
ACD/LogD (pH 5.5): 2.55
ACD/BCF (pH 5.5): 50.87
ACD/KOC (pH 5.5): 579.59
ACD/LogD (pH 7.4): 2.55
ACD/BCF (pH 7.4): 50.87
ACD/KOC (pH 7.4): 579.59
Polar Surface Area: 155 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 58.2±5.0 dyne/cm
Molar Volume: 447.9±5.0 cm3

Click to predict properties on the Chemicalize site


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