ChemSpider 2D Image | (1beta,2beta,3beta,5beta,7alpha,8alpha,9beta,10alpha,13beta)-5-Hydroxytaxa-4(20),11-diene-2,7,9,10,13-pentayl pentaacetate | C30H42O11

(1β,2β,3β,5β,7α,8α,9β,10α,13β)-5-Hydroxytaxa-4(20),11-diene-2,7,9,10,13-pentayl pentaacetate

  • Molecular FormulaC30H42O11
  • Average mass578.648 Da
  • Monoisotopic mass578.272705 Da
  • ChemSpider ID114553108

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1β,2β,3β,5β,7α,8α,9β,10α,13β)-5-Hydroxytaxa-4(20),11-dien-2,7,9,10,13-pentayl-pentaacetat [German] [ACD/IUPAC Name]
(1β,2β,3β,5β,7α,8α,9β,10α,13β)-5-Hydroxytaxa-4(20),11-diene-2,7,9,10,13-pentayl pentaacetate [ACD/IUPAC Name]
6,10-Methanobenzocyclodecene-1,3,5,8,11,12-hexol, 1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-9,12a,13,13-tetramethyl-4-methylene-, 1,5,8,11,12-pentaacetate, (1R,3R,4aS,5S,6S,8R,11S,12S,12aR)- [ACD/Index Name]
Pentaacétate de (1β,2β,3β,5β,7α,8α,9β,10α,13β)-5-hydroxytaxa-4(20),11-diène-2,7,9,10,13-pentayle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 605.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 103.3±6.0 kJ/mol
Flash Point: 183.8±25.0 °C
Index of Refraction: 1.530
Molar Refractivity: 144.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.45
ACD/LogD (pH 5.5): 3.72
ACD/BCF (pH 5.5): 399.34
ACD/KOC (pH 5.5): 2533.07
ACD/LogD (pH 7.4): 3.72
ACD/BCF (pH 7.4): 399.34
ACD/KOC (pH 7.4): 2533.06
Polar Surface Area: 152 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 47.7±5.0 dyne/cm
Molar Volume: 467.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement