ChemSpider 2D Image | 7beta-hydroxytaxusin | C28H40O9


  • Molecular FormulaC28H40O9
  • Average mass520.612 Da
  • Monoisotopic mass520.267212 Da
  • ChemSpider ID26606377
  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(5α,7β,9α,10β,13α)-7-Hydroxytaxa-4(20),11-dien-5,9,10,13-tetrayl-tetraacetat [German] [ACD/IUPAC Name]
(5α,7β,9α,10β,13α)-7-Hydroxytaxa-4(20),11-diene-5,9,10,13-tetrayl tetraacetate [ACD/IUPAC Name]
6,10-Methanobenzocyclodecene-1,3,8,11,12-pentol, 1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-9,12a,13,13-tetramethyl-4-methylene-, 3,8,11,12-tetraacetate, (1S,3S,4aR,6R,8S,11R,12R,12aS)- [ACD/Index Name]
Tetraacétate de (5α,7β,9α,10β,13α)-7-hydroxytaxa-4(20),11-diène-5,9,10,13-tétrayle [French] [ACD/IUPAC Name]

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

CHEBI:63665 [DBID]
  • Miscellaneous
    • Chemical Class:

      A taxane diterpenoid that is taxusin in which the hydrogen at the 7<stereo>beta</stereo> position is replaced by a hydroxy group. ChEBI CHEBI:63665

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 559.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 96.7±6.0 kJ/mol
Flash Point: 171.6±23.6 °C
Index of Refraction: 1.529
Molar Refractivity: 133.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.67
ACD/LogD (pH 5.5): 3.92
ACD/BCF (pH 5.5): 566.34
ACD/KOC (pH 5.5): 3252.77
ACD/LogD (pH 7.4): 3.92
ACD/BCF (pH 7.4): 566.34
ACD/KOC (pH 7.4): 3252.77
Polar Surface Area: 125 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 46.0±5.0 dyne/cm
Molar Volume: 432.5±5.0 cm3

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