ChemSpider 2D Image | Dimethyl (3R,4S)-3-{[(2S)-1-methoxy-1-oxo-3-phenyl-2-propanyl]carbamoyl}-4-vinyl-1,1-cyclopentanedicarboxylate | C22H27NO7

Dimethyl (3R,4S)-3-{[(2S)-1-methoxy-1-oxo-3-phenyl-2-propanyl]carbamoyl}-4-vinyl-1,1-cyclopentanedicarboxylate

  • Molecular FormulaC22H27NO7
  • Average mass417.452 Da
  • Monoisotopic mass417.178741 Da
  • ChemSpider ID30652081

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3R,4S)-3-{[(2S)-1-Méthoxy-1-oxo-3-phényl-2-propanyl]carbamoyl}-4-vinyl-1,1-cyclopentanedicarboxylate de diméthyle [French] [ACD/IUPAC Name]
1,1-Cyclopentanedicarboxylic acid, 3-ethenyl-4-[[[(1S)-2-methoxy-2-oxo-1-(phenylmethyl)ethyl]amino]carbonyl]-, dimethyl ester, (3S,4R)- [ACD/Index Name]
Dimethyl (3R,4S)-3-{[(2S)-1-methoxy-1-oxo-3-phenyl-2-propanyl]carbamoyl}-4-vinyl-1,1-cyclopentanedicarboxylate [ACD/IUPAC Name]
Dimethyl-(3R,4S)-3-{[(2S)-1-methoxy-1-oxo-3-phenyl-2-propanyl]carbamoyl}-4-vinyl-1,1-cyclopentandicarboxylat [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: 539.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.7±3.0 kJ/mol
Flash Point: 280.1±30.1 °C
Index of Refraction: 1.557
Molar Refractivity: 108.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 2.35
ACD/LogD (pH 5.5): 2.66
ACD/BCF (pH 5.5): 62.43
ACD/KOC (pH 5.5): 671.06
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 7.4): 62.43
ACD/KOC (pH 7.4): 671.06
Polar Surface Area: 108 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 51.7±3.0 dyne/cm
Molar Volume: 337.4±3.0 cm3

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