ChemSpider 2D Image | Methyl (1S,4aR,5S,6R,8aR)-5-[2-(5,8-diacetoxy-2-naphthyl)ethyl]-6-formyl-1,4a-dimethyldecahydro-1-naphthalenecarboxylate | C31H38O7

Methyl (1S,4aR,5S,6R,8aR)-5-[2-(5,8-diacetoxy-2-naphthyl)ethyl]-6-formyl-1,4a-dimethyldecahydro-1-naphthalenecarboxylate

  • Molecular FormulaC31H38O7
  • Average mass522.629 Da
  • Monoisotopic mass522.261780 Da
  • ChemSpider ID8705426

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S,4aR,5S,6R,8aR)-5-[2-(5,8-Diacétoxy-2-naphtyl)éthyl]-6-formyl-1,4a-diméthyldécahydro-1-naphtalènecarboxylate de méthyle [French] [ACD/IUPAC Name]
1-Naphthalenecarboxylic acid, 5-[2-[5,8-bis(acetyloxy)-2-naphthalenyl]ethyl]-6-formyldecahydro-1,4a-dimethyl-, methyl ester, (1S,4aR,5S,6R,8aR)- [ACD/Index Name]
Methyl (1S,4aR,5S,6R,8aR)-5-[2-(5,8-diacetoxy-2-naphthyl)ethyl]-6-formyl-1,4a-dimethyldecahydro-1-naphthalenecarboxylate [ACD/IUPAC Name]
Methyl-(1S,4aR,5S,6R,8aR)-5-[2-(5,8-diacetoxy-2-naphthyl)ethyl]-6-formyl-1,4a-dimethyldecahydro-1-naphthalincarboxylat [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: 625.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.6±3.0 kJ/mol
Flash Point: 261.9±31.5 °C
Index of Refraction: 1.569
Molar Refractivity: 145.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.78
ACD/LogD (pH 5.5): 5.86
ACD/BCF (pH 5.5): 16721.87
ACD/KOC (pH 5.5): 36695.63
ACD/LogD (pH 7.4): 5.86
ACD/BCF (pH 7.4): 16721.87
ACD/KOC (pH 7.4): 36695.63
Polar Surface Area: 96 Å2
Polarizability: 57.6±0.5 10-24cm3
Surface Tension: 46.7±3.0 dyne/cm
Molar Volume: 443.4±3.0 cm3

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