ChemSpider 2D Image | 2,6-Dimethoxy-4-[(5R,5aR,8aR)-6-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]phenyl [(2S)-1-(cyclopropylamino)-1-oxo-3-phenyl-2-propanyl]carbamate | C34H34N2O9

2,6-Dimethoxy-4-[(5R,5aR,8aR)-6-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]phenyl [(2S)-1-(cyclopropylamino)-1-oxo-3-phenyl-2-propanyl]carbamate

  • Molecular FormulaC34H34N2O9
  • Average mass614.642 Da
  • Monoisotopic mass614.226440 Da
  • ChemSpider ID28486334

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

[(2S)-1-(Cyclopropylamino)-1-oxo-3-phényl-2-propanyl]carbamate de 2,6-diméthoxy-4-[(5R,5aR,8aR)-6-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphto[2,3-d][1,3]dioxol-5-yl]phényle [French] [ACD/IUPAC Name]
2,6-Dimethoxy-4-[(5R,5aR,8aR)-6-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]phenyl [(2S)-1-(cyclopropylamino)-1-oxo-3-phenyl-2-propanyl]carbamate [ACD/IUPAC Name]
2,6-Dimethoxy-4-[(5R,5aR,8aR)-6-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]phenyl-[(2S)-1-(cyclopropylamino)-1-oxo-3-phenyl-2-propanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S)-2-(cyclopropylamino)-2-oxo-1-(phenylmethyl)ethyl]-, 4-[(5R,5aR,8aR)-5,5a,6,8,8a,9-hexahydro-6-oxofuro[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-5-yl]-2,6-dimethoxyphenyl ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 851.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 123.8±3.0 kJ/mol
Flash Point: 469.0±34.3 °C
Index of Refraction: 1.657
Molar Refractivity: 160.0±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 2.38
ACD/LogD (pH 5.5): 3.80
ACD/BCF (pH 5.5): 450.75
ACD/KOC (pH 5.5): 2762.37
ACD/LogD (pH 7.4): 3.79
ACD/BCF (pH 7.4): 449.11
ACD/KOC (pH 7.4): 2752.34
Polar Surface Area: 131 Å2
Polarizability: 63.4±0.5 10-24cm3
Surface Tension: 67.6±5.0 dyne/cm
Molar Volume: 435.2±5.0 cm3

Click to predict properties on the Chemicalize site


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