ChemSpider 2D Image | (2alpha,5beta,7beta,9alpha,10beta,13alpha)-4,10,13-Tris[(~13~C_2_)ethanoyloxy]-1,7,9-trihydroxy-5,20-epoxytax-11-en-2-yl benzoate | C2713C6H42O12

(2α,5β,7β,9α,10β,13α)-4,10,13-Tris[(13C2)ethanoyloxy]-1,7,9-trihydroxy-5,20-epoxytax-11-en-2-yl benzoate

  • Molecular FormulaC2713C6H42O12
  • Average mass636.635 Da
  • Monoisotopic mass636.287781 Da
  • ChemSpider ID8898085

  • defined stereocentres - 10 of 10 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2α,5β,7β,9α,10β,13α)-4,10,13-Tris[(13C2)ethanoyloxy]-1,7,9-trihydroxy-5,20-epoxytax-11-en-2-yl benzoate [ACD/IUPAC Name]
(2α,5β,7β,9α,10β,13α)-4,10,13-Tris[(13C2)ethanoyloxy]-1,7,9-trihydroxy-5,20-epoxytax-11-en-2-yl-benzoat [German] [ACD/IUPAC Name]
Acetic-13C2 acid, (2aR,4S,4aS,5R,6R,9S,11S,12S,12aR,12bS)-12-(benzoyloxy)-2a,3,4a,5,6,9,10,11,12,12a-decahydro-4,5,11-trihydroxy-4a,8,13,13-tetramethyl-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxe te-6,9,12b(4H)-triyl ester [ACD/Index Name]
Benzoate de (2α,5β,7β,9α,10β,13α)-4,10,13-tris[(13C2)éthanoyloxy]-1,7,9-trihydroxy-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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.594
Molar Refractivity: 156.7±0.4 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 62.1±0.5 10-24cm3
Surface Tension: 61.3±5.0 dyne/cm
Molar Volume: 461.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement