ChemSpider 2D Image | (5alpha,7beta,9alpha,10beta,13alpha)-1,5-Dihydroxytaxa-4(20),11-diene-7,9,10,13-tetrayl tetraacetate | C28H40O10

(5α,7β,9α,10β,13α)-1,5-Dihydroxytaxa-4(20),11-diene-7,9,10,13-tetrayl tetraacetate

  • Molecular FormulaC28H40O10
  • Average mass536.611 Da
  • Monoisotopic mass536.262146 Da
  • ChemSpider ID10136415

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(5α,7β,9α,10β,13α)-1,5-Dihydroxytaxa-4(20),11-dien-7,9,10,13-tetrayl-tetraacetat [German] [ACD/IUPAC Name]
(5α,7β,9α,10β,13α)-1,5-Dihydroxytaxa-4(20),11-diene-7,9,10,13-tetrayl tetraacetate [ACD/IUPAC Name]
6,10-Methanobenzocyclodecene-1,3,6,8,11,12(2H)-hexol, 1,3,4,4a,5,7,8,11,12,12a-decahydro-9,12a,13,13-tetramethyl-4-methylene-, 1,8,11,12-tetraacetate, (1S,3S,4aR,6S,8S,11R,12R,12aS)- [ACD/Index Name]
Tetraacétate de (5α,7β,9α,10β,13α)-1,5-dihydroxytaxa-4(20),11-diène-7,9,10,13-tétrayle [French] [ACD/IUPAC Name]
1-hydroxy-2-deacetoxy-5-decinnamoyltaxinine J

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

Density: 1.2±0.1 g/cm3
Boiling Point: 589.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.9±6.0 kJ/mol
Flash Point: 182.4±23.6 °C
Index of Refraction: 1.541
Molar Refractivity: 135.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.18
ACD/LogD (pH 5.5): 2.74
ACD/BCF (pH 5.5): 71.30
ACD/KOC (pH 5.5): 738.02
ACD/LogD (pH 7.4): 2.74
ACD/BCF (pH 7.4): 71.30
ACD/KOC (pH 7.4): 738.02
Polar Surface Area: 146 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 49.9±5.0 dyne/cm
Molar Volume: 429.5±5.0 cm3

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