ChemSpider 2D Image | (2alpha,5alpha,7beta,9alpha,10beta,13alpha)-1,5-Dihydroxytaxa-4(20),11-diene-2,7,9,10,13-pentayl pentaacetate | C30H42O12

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

  • Molecular FormulaC30H42O12
  • Average mass594.647 Da
  • Monoisotopic mass594.267639 Da
  • ChemSpider ID4475480

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(2α,5α,7β,9α,10β,13α)-1,5-Dihydroxytaxa-4(20),11-dien-2,7,9,10,13-pentayl-pentaacetat [German] [ACD/IUPAC Name]
(2α,5α,7β,9α,10β,13α)-1,5-Dihydroxytaxa-4(20),11-diene-2,7,9,10,13-pentayl pentaacetate [ACD/IUPAC Name]
6,10-Methanobenzocyclodecene-1,3,5,6,8,11,12(2H)-heptol, 1,3,4,4a,5,7,8,11,12,12a-decahydro-9,12a,13,13-tetramethyl-4-methylene-, 1,5,8,11,12-pentaacetate, (1S,3S,4aR,5S,6S,8S,11R,12R,12aS)- [ACD/Index Name]
Pentaacétate de (2α,5α,7β,9α,10β,13α)-1,5-dihydroxytaxa-4(20),11-diène-2,7,9,10,13-pentayle [French] [ACD/IUPAC Name]
Decinnamoyl-1-hydroxy-taxinine J

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

Density: 1.3±0.1 g/cm3
Boiling Point: 622.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.7±6.0 kJ/mol
Flash Point: 189.2±25.0 °C
Index of Refraction: 1.541
Molar Refractivity: 146.0±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 2.00
ACD/LogD (pH 5.5): 2.55
ACD/BCF (pH 5.5): 51.36
ACD/KOC (pH 5.5): 583.55
ACD/LogD (pH 7.4): 2.55
ACD/BCF (pH 7.4): 51.36
ACD/KOC (pH 7.4): 583.54
Polar Surface Area: 172 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 51.5±5.0 dyne/cm
Molar Volume: 464.9±5.0 cm3

Click to predict properties on the Chemicalize site


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