ChemSpider 2D Image | Methyl (1S,2R,3R)-5-(benzyloxy)-3-[4-(benzyloxy)-3-methoxyphenyl]-6-methoxy-1-(2-methoxy-2-oxoethyl)-2-indanecarboxylate | C36H36O8

Methyl (1S,2R,3R)-5-(benzyloxy)-3-[4-(benzyloxy)-3-methoxyphenyl]-6-methoxy-1-(2-methoxy-2-oxoethyl)-2-indanecarboxylate

  • Molecular FormulaC36H36O8
  • Average mass596.666 Da
  • Monoisotopic mass596.241028 Da
  • ChemSpider ID8591529

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,2R,3R)-5-(Benzyloxy)-3-[4-(benzyloxy)-3-méthoxyphényl]-6-méthoxy-1-(2-méthoxy-2-oxoéthyl)-2-indanecarboxylate de méthyle [French] [ACD/IUPAC Name]
1H-Indene-1-acetic acid, 2,3-dihydro-6-methoxy-2-(methoxycarbonyl)-3-[3-methoxy-4-(phenylmethoxy)phenyl]-5-(phenylmethoxy)-, methyl ester, (1S,2R,3R)- [ACD/Index Name]
Methyl (1S,2R,3R)-5-(benzyloxy)-3-[4-(benzyloxy)-3-methoxyphenyl]-6-methoxy-1-(2-methoxy-2-oxoethyl)-2-indanecarboxylate [ACD/IUPAC Name]
Methyl-(1S,2R,3R)-5-(benzyloxy)-3-[4-(benzyloxy)-3-methoxyphenyl]-6-methoxy-1-(2-methoxy-2-oxoethyl)-2-indancarboxylat [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: 681.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.9±3.0 kJ/mol
Flash Point: 281.2±31.5 °C
Index of Refraction: 1.582
Molar Refractivity: 165.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 6.56
ACD/LogD (pH 5.5): 6.00
ACD/BCF (pH 5.5): 21429.39
ACD/KOC (pH 5.5): 43825.13
ACD/LogD (pH 7.4): 6.00
ACD/BCF (pH 7.4): 21429.39
ACD/KOC (pH 7.4): 43825.13
Polar Surface Area: 90 Å2
Polarizability: 65.5±0.5 10-24cm3
Surface Tension: 46.6±3.0 dyne/cm
Molar Volume: 495.3±3.0 cm3

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