ChemSpider 2D Image | 2-Methyl-5-oxotetrahydro-3-furanyl (2R,3S,6S,7S,9R)-2-[(2S,5S)-5-(3-hydroxyphenyl)-5-methoxy-2-pentanyl]-3,9,11,11-tetramethyl-8-oxo-1-oxaspiro[5.5]undec-4-ene-7-carboxylate | C32H44O8

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

  • Molecular FormulaC32H44O8
  • Average mass556.687 Da
  • Monoisotopic mass556.303589 Da
  • ChemSpider ID161169

  • defined stereocentres - 7 of 9 defined stereocentres

More details:

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

(2R,3S,6S,7S,9R)-2-[(2S,5S)-5-(3-Hydroxyphényl)-5-méthoxy-2-pentanyl]-3,9,11,11-tétraméthyl-8-oxo-1-oxaspiro[5.5]undéc-4-ène-7-carboxylate de 2-méthyl-5-oxotétrahydro-3-furanyle [French] [ACD/IUPAC Name]
2-Methyl-5-oxotetrahydro-3-furanyl (2R,3S,6S,7S,9R)-2-[(2S,5S)-5-(3-hydroxyphenyl)-5-methoxy-2-pentanyl]-3,9,11,11-tetramethyl-8-oxo-1-oxaspiro[5.5]undec-4-ene-7-carboxylate [ACD/IUPAC Name]
2-Methyl-5-oxotetrahydro-3-furanyl-(2R,3S,6S,7S,9R)-2-[(2S,5S)-5-(3-hydroxyphenyl)-5-methoxy-2-pentanyl]-3,9,11,11-tetramethyl-8-oxo-1-oxaspiro[5.5]undec-4-en-7-carboxylat [German] [ACD/IUPAC Name]
2-METHYL-5-OXOTETRAHYDROFURAN-3-YL(2R,3S,6S,7S,9R)-2-[(2S,5S)-5-(3-HYDROXYPHENYL)-5-METHOXYPENTAN-2-YL]-3,9,11,11-TETRAMETHYL-8-OXO-1-OXASPIRO[5.5]UNDEC-4-ENE-7-CARBOXYLATE(NON-PREFERRED NAME)
95069-54-8 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 676.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.8±3.0 kJ/mol
Flash Point: 210.8±25.0 °C
Index of Refraction: 1.554
Molar Refractivity: 149.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.36
ACD/LogD (pH 5.5): 4.93
ACD/BCF (pH 5.5): 3288.06
ACD/KOC (pH 5.5): 11455.44
ACD/LogD (pH 7.4): 4.93
ACD/BCF (pH 7.4): 3270.88
ACD/KOC (pH 7.4): 11395.57
Polar Surface Area: 108 Å2
Polarizability: 59.3±0.5 10-24cm3
Surface Tension: 48.5±5.0 dyne/cm
Molar Volume: 467.1±5.0 cm3

Click to predict properties on the Chemicalize site


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