Found 28 results

Search term: MF = 'C_{39}H_{52}O_{7}'
ChemSpider 2D Image | 2-[(2S,4R,6S)-6-({(1R,2R,3aS,4R,5R,7aR)-1-[(4-Methoxybenzyl)oxy]-2-methyl-4-vinyl-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl}methyl)-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]ethyl pivalate | C39H52O7

2-[(2S,4R,6S)-6-({(1R,2R,3aS,4R,5R,7aR)-1-[(4-Methoxybenzyl)oxy]-2-methyl-4-vinyl-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl}methyl)-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]ethyl pivalate

  • Molecular FormulaC39H52O7
  • Average mass632.826 Da
  • Monoisotopic mass632.371277 Da
  • ChemSpider ID9552069

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

2-[(2S,4R,6S)-6-({(1R,2R,3aS,4R,5R,7aR)-1-[(4-Methoxybenzyl)oxy]-2-methyl-4-vinyl-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl}methyl)-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]ethyl pivalate [ACD/IUPAC Name]
2-[(2S,4R,6S)-6-({(1R,2R,3aS,4R,5R,7aR)-1-[(4-Methoxybenzyl)oxy]-2-methyl-4-vinyl-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl}methyl)-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]ethylpivalat [German] [ACD/IUPAC Name]
Pivalate de 2-[(2S,4R,6S)-6-({(1R,2R,3aS,4R,5R,7aR)-1-[(4-méthoxybenzyl)oxy]-2-méthyl-4-vinyl-2,3,3a,4,5,7a-hexahydro-1H-indén-5-yl}méthyl)-2-(4-méthoxyphényl)-1,3-dioxan-4-yl]éthyle [French] [ACD/IUPAC Name]
Propanoic acid, 2,2-dimethyl-, 2-[(2S,4R,6S)-6-[[(1R,2R,3aS,4R,5R,7aR)-4-ethenyl-2,3,3a,4,5,7a-hexahydro-1-[(4-methoxyphenyl)methoxy]-2-methyl-1H-inden-5-yl]methyl]-2-(4-methoxyphenyl)-1,3-dioxan-4-yl ]ethyl ester [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 687.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.8±3.0 kJ/mol
Flash Point: 278.8±31.5 °C
Index of Refraction: 1.561
Molar Refractivity: 180.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 8.55
ACD/LogD (pH 5.5): 7.91
ACD/BCF (pH 5.5): 602492.38
ACD/KOC (pH 5.5): 477375.03
ACD/LogD (pH 7.4): 7.91
ACD/BCF (pH 7.4): 602492.38
ACD/KOC (pH 7.4): 477375.03
Polar Surface Area: 72 Å2
Polarizability: 71.5±0.5 10-24cm3
Surface Tension: 45.7±5.0 dyne/cm
Molar Volume: 557.4±5.0 cm3

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