ChemSpider 2D Image | Methyl (4aS,5S,7R,8S,10aS)-5,8-diacetoxy-7-(acetoxymethyl)-3,4a,7,10a-tetramethyl-1-oxododecahydro-1H-benzo[f]chromene-2-carboxylate | C26H38O10

Methyl (4aS,5S,7R,8S,10aS)-5,8-diacetoxy-7-(acetoxymethyl)-3,4a,7,10a-tetramethyl-1-oxododecahydro-1H-benzo[f]chromene-2-carboxylate

  • Molecular FormulaC26H38O10
  • Average mass510.574 Da
  • Monoisotopic mass510.246490 Da
  • ChemSpider ID8024932

  • defined stereocentres - 5 of 9 defined stereocentres

More details:

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

(4aS,5S,7R,8S,10aS)-5,8-Diacétoxy-7-(acétoxyméthyl)-3,4a,7,10a-tétraméthyl-1-oxododécahydro-1H-benzo[f]chromène-2-carboxylate de méthyle [French] [ACD/IUPAC Name]
1H-Naphtho[2,1-b]pyran-2-carboxylic acid, 5,8-bis(acetyloxy)-7-[(acetyloxy)methyl]dodecahydro-3,4a,7,10a-tetramethyl-1-oxo-, methyl ester, (4aS,5S,7R,8S,10aS)- [ACD/Index Name]
Methyl (4aS,5S,7R,8S,10aS)-5,8-diacetoxy-7-(acetoxymethyl)-3,4a,7,10a-tetramethyl-1-oxododecahydro-1H-benzo[f]chromene-2-carboxylate [ACD/IUPAC Name]
Methyl-(4aS,5S,7R,8S,10aS)-5,8-diacetoxy-7-(acetoxymethyl)-3,4a,7,10a-tetramethyl-1-oxododecahydro-1H-benzo[f]chromen-2-carboxylat [German] [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: 545.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.4±3.0 kJ/mol
Flash Point: 229.1±30.2 °C
Index of Refraction: 1.513
Molar Refractivity: 125.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.63
ACD/LogD (pH 5.5): 3.23
ACD/BCF (pH 5.5): 167.39
ACD/KOC (pH 5.5): 1359.39
ACD/LogD (pH 7.4): 3.22
ACD/BCF (pH 7.4): 166.18
ACD/KOC (pH 7.4): 1349.53
Polar Surface Area: 132 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 46.0±5.0 dyne/cm
Molar Volume: 417.4±5.0 cm3

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