ChemSpider 2D Image | Methyl (4aS,8S,8aR)-7-(benzyloxy)-8-[(1S,2R)-1,3-bis(benzyloxy)-2-methoxypropyl]-4-methylene-1-oxo-1,3,4,5,8,8a-hexahydro-4a(2H)-naphthalenecarboxylate | C38H42O7

Methyl (4aS,8S,8aR)-7-(benzyloxy)-8-[(1S,2R)-1,3-bis(benzyloxy)-2-methoxypropyl]-4-methylene-1-oxo-1,3,4,5,8,8a-hexahydro-4a(2H)-naphthalenecarboxylate

  • Molecular FormulaC38H42O7
  • Average mass610.736 Da
  • Monoisotopic mass610.293030 Da
  • ChemSpider ID9181774

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(4aS,8S,8aR)-7-(Benzyloxy)-8-[(1S,2R)-1,3-bis(benzyloxy)-2-méthoxypropyl]-4-méthylène-1-oxo-1,3,4,5,8,8a-hexahydro-4a(2H)-naphtalènecarboxylate de méthyle [French] [ACD/IUPAC Name]
4a(2H)-Naphthalenecarboxylic acid, 1,3,4,5,8,8a-hexahydro-8-[(1S,2R)-2-methoxy-1,3-bis(phenylmethoxy)propyl]-4-methylene-1-oxo-7-(phenylmethoxy)-, methyl ester, (4aS,8S,8aR)- [ACD/Index Name]
Methyl (4aS,8S,8aR)-7-(benzyloxy)-8-[(1S,2R)-1,3-bis(benzyloxy)-2-methoxypropyl]-4-methylene-1-oxo-1,3,4,5,8,8a-hexahydro-4a(2H)-naphthalenecarboxylate [ACD/IUPAC Name]
Methyl-(4aS,8S,8aR)-7-(benzyloxy)-8-[(1S,2R)-1,3-bis(benzyloxy)-2-methoxypropyl]-4-methylen-1-oxo-1,3,4,5,8,8a-hexahydro-4a(2H)-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: 717.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.8±3.0 kJ/mol
Flash Point: 293.8±32.9 °C
Index of Refraction: 1.592
Molar Refractivity: 172.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 7.48
ACD/LogD (pH 5.5): 7.07
ACD/BCF (pH 5.5): 140314.28
ACD/KOC (pH 5.5): 168218.20
ACD/LogD (pH 7.4): 7.07
ACD/BCF (pH 7.4): 140314.28
ACD/KOC (pH 7.4): 168218.20
Polar Surface Area: 80 Å2
Polarizability: 68.5±0.5 10-24cm3
Surface Tension: 50.9±5.0 dyne/cm
Molar Volume: 510.4±5.0 cm3

Click to predict properties on the Chemicalize site


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