ChemSpider 2D Image | 2-Methyl-2-propanyl (7'E,13'R,14'S)-14'-(4-ethoxyphenyl)-2',11'-dioxo-2,3,5,6-tetrahydro-1''H-dispiro[pyran-4,10'-[5]oxa[1,12]diazabicyclo[11.3.1]heptadec[7]ene-3',3''-pyrrolidine]-1''-carboxylate | C34H49N3O7

2-Methyl-2-propanyl (7'E,13'R,14'S)-14'-(4-ethoxyphenyl)-2',11'-dioxo-2,3,5,6-tetrahydro-1''H-dispiro[pyran-4,10'-[5]oxa[1,12]diazabicyclo[11.3.1]heptadec[7]ene-3',3''-pyrrolidine]-1''-carboxylate

  • Molecular FormulaC34H49N3O7
  • Average mass611.769 Da
  • Monoisotopic mass611.357056 Da
  • ChemSpider ID108689042

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 3 defined stereocentres

More details:

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

2-Methyl-2-propanyl (7'E,13'R,14'S)-14'-(4-ethoxyphenyl)-2',11'-dioxo-2,3,5,6-tetrahydro-1''H-dispiro[pyran-4,10'-[5]oxa[1,12]diazabicyclo[11.3.1]heptadec[7]ene-3',3''-pyrrolidine]-1''-carboxylate [ACD/IUPAC Name]
Dispiro[4H-pyran-4,10'-[5]oxa[1,12]diazabicyclo[11.3.1]heptadec[7]ene-3',3''-pyrrolidine]-1''-carboxylic acid, 14'-(4-ethoxyphenyl)-2,3,5,6-tetrahydro-2',11'-dioxo-, 1,1-dimethylethyl ester, (7'E,13'R ,14'S)- [ACD/Index 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: 796.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.9±3.0 kJ/mol
Flash Point: 435.7±32.9 °C
Index of Refraction: 1.582
Molar Refractivity: 166.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 2.46
ACD/LogD (pH 5.5): 3.11
ACD/BCF (pH 5.5): 135.85
ACD/KOC (pH 5.5): 1170.70
ACD/LogD (pH 7.4): 3.11
ACD/BCF (pH 7.4): 135.85
ACD/KOC (pH 7.4): 1170.70
Polar Surface Area: 107 Å2
Polarizability: 66.1±0.5 10-24cm3
Surface Tension: 54.2±5.0 dyne/cm
Molar Volume: 499.7±5.0 cm3

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