ChemSpider 2D Image | Methyl (2R,3S,6R,7S,9R)-2-{(2S,5S)-5-[3-(benzyloxy)phenyl]-5-methoxy-2-pentanyl}-3,9,11,11-tetramethyl-8-oxo-1-oxaspiro[5.5]undec-4-ene-7-carboxylate | C35H46O6

Methyl (2R,3S,6R,7S,9R)-2-{(2S,5S)-5-[3-(benzyloxy)phenyl]-5-methoxy-2-pentanyl}-3,9,11,11-tetramethyl-8-oxo-1-oxaspiro[5.5]undec-4-ene-7-carboxylate

  • Molecular FormulaC35H46O6
  • Average mass562.736 Da
  • Monoisotopic mass562.329468 Da
  • ChemSpider ID10002505

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2R,3S,6R,7S,9R)-2-{(2S,5S)-5-[3-(Benzyloxy)phényl]-5-méthoxy-2-pentanyl}-3,9,11,11-tétraméthyl-8-oxo-1-oxaspiro[5.5]undéc-4-ène-7-carboxylate de méthyle [French] [ACD/IUPAC Name]
1-Oxaspiro[5.5]undec-4-ene-7-carboxylic acid, 2-[(1S,4S)-4-methoxy-1-methyl-4-[3-(phenylmethoxy)phenyl]butyl]-3,9,11,11-tetramethyl-8-oxo-, methyl ester, (2R,3S,6R,7S,9R)- [ACD/Index Name]
Methyl (2R,3S,6R,7S,9R)-2-{(2S,5S)-5-[3-(benzyloxy)phenyl]-5-methoxy-2-pentanyl}-3,9,11,11-tetramethyl-8-oxo-1-oxaspiro[5.5]undec-4-ene-7-carboxylate [ACD/IUPAC Name]
Methyl-(2R,3S,6R,7S,9R)-2-{(2S,5S)-5-[3-(benzyloxy)phenyl]-5-methoxy-2-pentanyl}-3,9,11,11-tetramethyl-8-oxo-1-oxaspiro[5.5]undec-4-en-7-carboxylat [German] [ACD/IUPAC 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: 633.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.6±3.0 kJ/mol
Flash Point: 260.7±31.5 °C
Index of Refraction: 1.556
Molar Refractivity: 160.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 7.31
ACD/LogD (pH 5.5): 7.45
ACD/BCF (pH 5.5): 270029.53
ACD/KOC (pH 5.5): 268768.59
ACD/LogD (pH 7.4): 7.45
ACD/BCF (pH 7.4): 269990.69
ACD/KOC (pH 7.4): 268729.94
Polar Surface Area: 71 Å2
Polarizability: 63.8±0.5 10-24cm3
Surface Tension: 45.2±5.0 dyne/cm
Molar Volume: 500.7±5.0 cm3

Click to predict properties on the Chemicalize site


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