ChemSpider 2D Image | (2alpha,5beta,7beta,10beta,13alpha)-4-Acetoxy-1,10,13-trihydroxy-9-oxo-7-[(triethylsilyl)oxy]-5,20-epoxytax-11-en-2-yl benzoate | C35H50O10Si

(2α,5β,7β,10β,13α)-4-Acetoxy-1,10,13-trihydroxy-9-oxo-7-[(triethylsilyl)oxy]-5,20-epoxytax-11-en-2-yl benzoate

  • Molecular FormulaC35H50O10Si
  • Average mass658.851 Da
  • Monoisotopic mass658.317322 Da
  • ChemSpider ID9909692

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(2α,5β,7β,10β,13α)-4-Acetoxy-1,10,13-trihydroxy-9-oxo-7-[(triethylsilyl)oxy]-5,20-epoxytax-11-en-2-yl benzoate [ACD/IUPAC Name]
(2α,5β,7β,10β,13α)-4-Acetoxy-1,10,13-trihydroxy-9-oxo-7-[(triethylsilyl)oxy]-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, 12b-(acetyloxy)-12-(benzoyloxy)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro-6,9,11-trihydroxy-4a,8,13,13-tetramethyl-4-[(triethylsilyl)oxy]-, (2aR ,4S,4aS,6R,9S,11S,12S,12aR,12bS)- [ACD/Index Name]
Benzoate de (2α,5β,7β,10β,13α)-4-acétoxy-1,10,13-trihydroxy-9-oxo-7-[(triéthylsilyl)oxy]-5,20-époxytax-11-én-2-yle [French] [ACD/IUPAC Name]
115437-18-8 [RN]
115437-18-8x000B
7-O-(Triethylsilyl)-10-deacetyl Baccatin III
7-O-(Triethylsilyl)-10-deacetylBaccatinIII
7-O-triethylsilyl-10-deacetyl baccatin III

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

Density: 1.3±0.1 g/cm3
Boiling Point: 715.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.8±3.0 kJ/mol
Flash Point: 386.7±32.9 °C
Index of Refraction: 1.572
Molar Refractivity: 172.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 7.33
ACD/LogD (pH 5.5): 4.38
ACD/BCF (pH 5.5): 1264.76
ACD/KOC (pH 5.5): 5781.17
ACD/LogD (pH 7.4): 4.38
ACD/BCF (pH 7.4): 1264.64
ACD/KOC (pH 7.4): 5780.64
Polar Surface Area: 149 Å2
Polarizability: 68.5±0.5 10-24cm3
Surface Tension: 51.5±5.0 dyne/cm
Molar Volume: 525.8±5.0 cm3

Click to predict properties on the Chemicalize site


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