ChemSpider 2D Image | (2alpha,5alpha,10beta,14beta)-2,5-Diacetoxy-10-hydroxytaxa-4(20),11-dien-14-yl (2S,3R)-3-hydroxy-2-methylbutanoate | C29H44O8

(2α,5α,10β,14β)-2,5-Diacetoxy-10-hydroxytaxa-4(20),11-dien-14-yl (2S,3R)-3-hydroxy-2-methylbutanoate

  • Molecular FormulaC29H44O8
  • Average mass520.655 Da
  • Monoisotopic mass520.303589 Da
  • ChemSpider ID4475453

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(2S,3R)-3-Hydroxy-2-méthylbutanoate de (2α,5α,10β,14β)-2,5-diacétoxy-10-hydroxytaxa-4(20),11-dién-14-yle [French] [ACD/IUPAC Name]
(2α,5α,10β,14β)-2,5-Diacetoxy-10-hydroxytaxa-4(20),11-dien-14-yl (2S,3R)-3-hydroxy-2-methylbutanoate [ACD/IUPAC Name]
(2α,5α,10β,14β)-2,5-Diacetoxy-10-hydroxytaxa-4(20),11-dien-14-yl-(2S,3R)-3-hydroxy-2-methylbutanoat [German] [ACD/IUPAC Name]
Butanoic acid, 3-hydroxy-2-methyl-, (3S,4aS,5S,6S,7S,11S,12aS)-3,5-bis(acetyloxy)-1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-11-hydroxy-9,12a,13,13-tetramethyl-4-methylene-6,10-methanobenzocyclodecen-7- yl ester, (2S,3R)- [ACD/Index Name]
10-Deacetylyunnanaxane

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

Density: 1.2±0.1 g/cm3
Boiling Point: 602.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.9±6.0 kJ/mol
Flash Point: 186.7±25.0 °C
Index of Refraction: 1.533
Molar Refractivity: 137.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.81
ACD/LogD (pH 5.5): 4.23
ACD/BCF (pH 5.5): 963.99
ACD/KOC (pH 5.5): 4759.92
ACD/LogD (pH 7.4): 4.23
ACD/BCF (pH 7.4): 963.99
ACD/KOC (pH 7.4): 4759.91
Polar Surface Area: 119 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 46.0±5.0 dyne/cm
Molar Volume: 443.7±5.0 cm3

Click to predict properties on the Chemicalize site


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