ChemSpider 2D Image | (2alpha,5beta,13alpha)-4-Acetoxy-1,7,13-trihydroxy-9,10-dioxo-5,20-epoxytax-11-en-2-yl benzoate | C29H34O10

(2α,5β,13α)-4-Acetoxy-1,7,13-trihydroxy-9,10-dioxo-5,20-epoxytax-11-en-2-yl benzoate

  • Molecular FormulaC29H34O10
  • Average mass542.574 Da
  • Monoisotopic mass542.215210 Da
  • ChemSpider ID9061323

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(2α,5β,13α)-4-Acetoxy-1,7,13-trihydroxy-9,10-dioxo-5,20-epoxytax-11-en-2-yl benzoate [ACD/IUPAC Name]
(2α,5β,13α)-4-Acetoxy-1,7,13-trihydroxy-9,10-dioxo-5,20-epoxytax-11-en-2-yl-benzoat [German] [ACD/IUPAC Name]
7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete-5,6-dione, 12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,9,10,11,12,12a,12b-decahydro-4,9,11-trihydroxy-4a,8,13,13-tetramethyl-, (2aR,4aS,9S,11S,12S,12aR,12b S)- [ACD/Index Name]
Benzoate de (2α,5β,13α)-4-acétoxy-1,7,13-trihydroxy-9,10-dioxo-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: 1.4±0.1 g/cm3
Boiling Point: 697.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.2±3.0 kJ/mol
Flash Point: 226.9±25.0 °C
Index of Refraction: 1.618
Molar Refractivity: 134.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 3.16
ACD/LogD (pH 5.5): 2.11
ACD/BCF (pH 5.5): 23.63
ACD/KOC (pH 5.5): 334.74
ACD/LogD (pH 7.4): 2.11
ACD/BCF (pH 7.4): 23.63
ACD/KOC (pH 7.4): 334.74
Polar Surface Area: 157 Å2
Polarizability: 53.4±0.5 10-24cm3
Surface Tension: 65.8±5.0 dyne/cm
Molar Volume: 384.5±5.0 cm3

Click to predict properties on the Chemicalize site


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