ChemSpider 2D Image | (2alpha,5alpha,7beta,8alpha,9alpha,10beta)-5-Hydroxy-13-oxotaxa-4(20),11-diene-2,7,9,10-tetrayl tetraacetate | C28H38O10

(2α,5α,7β,8α,9α,10β)-5-Hydroxy-13-oxotaxa-4(20),11-diene-2,7,9,10-tetrayl tetraacetate

  • Molecular FormulaC28H38O10
  • Average mass534.595 Da
  • Monoisotopic mass534.246521 Da
  • ChemSpider ID23340056

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2α,5α,7β,8α,9α,10β)-5-Hydroxy-13-oxotaxa-4(20),11-dien-2,7,9,10-tetrayl-tetraacetat [German] [ACD/IUPAC Name]
(2α,5α,7β,8α,9α,10β)-5-Hydroxy-13-oxotaxa-4(20),11-diene-2,7,9,10-tetrayl tetraacetate [ACD/IUPAC Name]
6,10-Methanobenzocyclodecen-8(2H)-one, 1,5,11,12-tetrakis(acetyloxy)-1,3,4,4a,5,6,7,11,12,12a-decahydro-3-hydroxy-9,12a,13,13-tetramethyl-4-methylene-, (1S,3S,4aR,5R,6R,11R,12R,12aR)- [ACD/Index Name]
Tetraacétate de (2α,5α,7β,8α,9α,10β)-5-hydroxy-13-oxotaxa-4(20),11-diène-2,7,9,10-tétrayle [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL465478/
taxuspine F

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

Density: 1.2±0.1 g/cm3
Boiling Point: 601.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.6±6.0 kJ/mol
Flash Point: 188.0±25.0 °C
Index of Refraction: 1.534
Molar Refractivity: 133.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.43
ACD/LogD (pH 5.5): 2.97
ACD/BCF (pH 5.5): 106.98
ACD/KOC (pH 5.5): 986.71
ACD/LogD (pH 7.4): 2.97
ACD/BCF (pH 7.4): 106.98
ACD/KOC (pH 7.4): 986.71
Polar Surface Area: 143 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 48.3±5.0 dyne/cm
Molar Volume: 429.2±5.0 cm3

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