ChemSpider 2D Image | Taxezopidine B | C26H38O10

Taxezopidine B

  • Molecular FormulaC26H38O10
  • Average mass510.574 Da
  • Monoisotopic mass510.246490 Da
  • ChemSpider ID8753017

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2α,5α,9α,10β)-5,11,20-Trihydroxy-13-oxotax-3-en-2,9,10-triyl-triacetat [German] [ACD/IUPAC Name]
(2α,5α,9α,10β)-5,11,20-Trihydroxy-13-oxotax-3-ene-2,9,10-triyl triacetate [ACD/IUPAC Name]
6,10-Methanobenzocyclodecen-8(2H)-one, 5,11,12-tris(acetyloxy)-1,3,5,6,7,9,10,11,12,12a-decahydro-3,10-dihydroxy-4-(hydroxymethyl)-9,12a,13,13-tetramethyl-, (3S,5R,6R,9S,10R,11S,12R,12aR)- [ACD/Index Name]
Taxezopidine B
Triacétate de (2α,5α,9α,10β)-5,11,20-trihydroxy-13-oxotax-3-ène-2,9,10-triyle [French] [ACD/IUPAC Name]
Acetic acid (1R,2R,5S,8R,9R,10S,11R,12S)-2,9-diacetoxy-5,11-dihydroxy-4-hydroxymethyl-8,12,15,15-tetramethyl-13-oxo-tricyclo[9.3.1.0*3,8*]pentadec-3-en-10-yl ester

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

Density: 1.3±0.1 g/cm3
Boiling Point: 627.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 106.4±6.0 kJ/mol
Flash Point: 201.8±25.0 °C
Index of Refraction: 1.553
Molar Refractivity: 125.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 1.26
ACD/LogD (pH 5.5): 1.77
ACD/BCF (pH 5.5): 12.98
ACD/KOC (pH 5.5): 217.96
ACD/LogD (pH 7.4): 1.77
ACD/BCF (pH 7.4): 12.98
ACD/KOC (pH 7.4): 217.96
Polar Surface Area: 157 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 55.2±5.0 dyne/cm
Molar Volume: 393.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement