ChemSpider 2D Image | [(2R,3S,6S)-3-(4-Methoxyphenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methyl 4-({2-[(2R,5S,6R)-5-(4-methoxyphenoxy)-6-{[(propylcarbamoyl)oxy]methyl}-5,6-dihydro-2H-pyran-2-yl]ethoxy}imino)pentanoate (no n-preferred name) | C43H52N2O11

[(2R,3S,6S)-3-(4-Methoxyphenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methyl 4-({2-[(2R,5S,6R)-5-(4-methoxyphenoxy)-6-{[(propylcarbamoyl)oxy]methyl}-5,6-dihydro-2H-pyran-2-yl]ethoxy}imino)pentanoate (no n-preferred name)

  • Molecular FormulaC43H52N2O11
  • Average mass772.880 Da
  • Monoisotopic mass772.357117 Da
  • ChemSpider ID5069032

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

[(2R,3S,6S)-3-(4-Methoxyphenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methyl 4-({2-[(2R,5S,6R)-5-(4-methoxyphenoxy)-6-{[(propylcarbamoyl)oxy]methyl}-5,6-dihydro-2H-pyran-2-yl]ethoxy}imino)pentanoate (no n-preferred name) [ACD/IUPAC Name]
[(2R,3S,6S)-3-(4-Methoxyphenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methyl-4-({2-[(2R,5S,6R)-5-(4-methoxyphenoxy)-6-{[(propylcarbamoyl)oxy]methyl}-5,6-dihydro-2H-pyran-2-yl]ethoxy}imino)pentanoat (non -preferred name) [German] [ACD/IUPAC Name]
4-({2-[(2R,5S,6R)-5-(4-Méthoxyphénoxy)-6-{[(propylcarbamoyl)oxy]méthyl}-5,6-dihydro-2H-pyran-2-yl]éthoxy}imino)pentanoate de [(2R,3S,6S)-3-(4-méthoxyphénoxy)-6-phényl-3,6-dihydro-2H-pyran-2-yl]méthyle [French] [ACD/IUPAC Name]

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

CMLD2_000791 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.563
Molar Refractivity: 207.6±0.5 cm3
#H bond acceptors: 13
#H bond donors: 1
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 3
ACD/LogP: 8.12
ACD/LogD (pH 5.5): 7.05
ACD/BCF (pH 5.5): 135022.58
ACD/KOC (pH 5.5): 163652.45
ACD/LogD (pH 7.4): 7.05
ACD/BCF (pH 7.4): 135021.83
ACD/KOC (pH 7.4): 163651.55
Polar Surface Area: 142 Å2
Polarizability: 82.3±0.5 10-24cm3
Surface Tension: 42.7±7.0 dyne/cm
Molar Volume: 639.0±7.0 cm3

Click to predict properties on the Chemicalize site


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