ChemSpider 2D Image | (2beta,3beta,5alpha,7beta,10alpha,14beta)-11,14-Dihydroxy-10-(methoxymethoxy)-7-[(2-methyl-2-propanyl)oxy]-1,2-epoxytaxa-4(20),12-dien-5-yl acetate | C28H44O8

(2β,3β,5α,7β,10α,14β)-11,14-Dihydroxy-10-(methoxymethoxy)-7-[(2-methyl-2-propanyl)oxy]-1,2-epoxytaxa-4(20),12-dien-5-yl acetate

  • Molecular FormulaC28H44O8
  • Average mass508.644 Da
  • Monoisotopic mass508.303619 Da
  • ChemSpider ID9504611

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(2β,3β,5α,7β,10α,14β)-11,14-Dihydroxy-10-(methoxymethoxy)-7-[(2-methyl-2-propanyl)oxy]-1,2-epoxytaxa-4(20),12-dien-5-yl acetate [ACD/IUPAC Name]
(2β,3β,5α,7β,10α,14β)-11,14-Dihydroxy-10-(methoxymethoxy)-7-[(2-methyl-2-propanyl)oxy]-1,2-epoxytaxa-4(20),12-dien-5-yl-acetat [German] [ACD/IUPAC Name]
2H-1a,5-Methanobenzo[3,4]cyclodec[1,2-b]oxirene-2,5,10(6H)-triol, 8-(1,1-dimethylethoxy)-7,7a,8,9,10,11,11a,11b-octahydro-6-(methoxymethoxy)-4,7a,12,12-tetramethyl-11-methylene-, 10-acetate, (1aR,2S,5 R,6R,7aS,8S,10S,11aS,11bR)- [ACD/Index Name]
Acétate de (2β,3β,5α,7β,10α,14β)-11,14-dihydroxy-10-(méthoxyméthoxy)-7-[(2-méthyl-2-propanyl)oxy]-1,2-époxytaxa-4(20),12-dién-5-yle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 582.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 99.9±6.0 kJ/mol
Flash Point: 181.5±23.6 °C
Index of Refraction: 1.542
Molar Refractivity: 134.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.76
ACD/LogD (pH 5.5): 3.79
ACD/BCF (pH 5.5): 444.40
ACD/KOC (pH 5.5): 2734.50
ACD/LogD (pH 7.4): 3.79
ACD/BCF (pH 7.4): 444.40
ACD/KOC (pH 7.4): 2734.50
Polar Surface Area: 107 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 46.1±5.0 dyne/cm
Molar Volume: 427.3±5.0 cm3

Click to predict properties on the Chemicalize site


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