ChemSpider 2D Image | 1-Hydroxy-2,2,6,6-tetramethyl-N-(2-oxo-2-{[(5S,5aS,8aR,9R)-8-oxo-9-(3,4,5-trimethoxyphenyl)-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]amino}-1-phenylethyl)-N-phenyl-4-piperi dinecarboxamide | C46H51N3O10

1-Hydroxy-2,2,6,6-tetramethyl-N-(2-oxo-2-{[(5S,5aS,8aR,9R)-8-oxo-9-(3,4,5-trimethoxyphenyl)-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]amino}-1-phenylethyl)-N-phenyl-4-piperi dinecarboxamide

  • Molecular FormulaC46H51N3O10
  • Average mass805.911 Da
  • Monoisotopic mass805.357422 Da
  • ChemSpider ID59009007

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

1-Hydroxy-2,2,6,6-tetramethyl-N-(2-oxo-2-{[(5S,5aS,8aR,9R)-8-oxo-9-(3,4,5-trimethoxyphenyl)-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]amino}-1-phenylethyl)-N-phenyl-4-piperi dincarboxamid [German] [ACD/IUPAC Name]
1-Hydroxy-2,2,6,6-tetramethyl-N-(2-oxo-2-{[(5S,5aS,8aR,9R)-8-oxo-9-(3,4,5-trimethoxyphenyl)-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]amino}-1-phenylethyl)-N-phenyl-4-piperi dinecarboxamide [ACD/IUPAC Name]
1-Hydroxy-2,2,6,6-tétraméthyl-N-(2-oxo-2-{[(5S,5aS,8aR,9R)-8-oxo-9-(3,4,5-triméthoxyphényl)-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphto[2,3-d][1,3]dioxol-5-yl]amino}-1-phényléthyl)-N-phényl-4-pipérid inecarboxamide [French] [ACD/IUPAC Name]
4-Piperidinecarboxamide, N-[2-[[(5S,5aS,8aR,9R)-5,5a,6,8,8a,9-hexahydro-8-oxo-9-(3,4,5-trimethoxyphenyl)furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-5-yl]amino]-2-oxo-1-phenylethyl]-1-hydroxy-2,2,6,6-tetr amethyl-N-phenyl- [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: 931.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 142.0±3.0 kJ/mol
Flash Point: 517.2±34.3 °C
Index of Refraction: 1.658
Molar Refractivity: 218.2±0.4 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 5.04
ACD/LogD (pH 5.5): 4.98
ACD/BCF (pH 5.5): 3499.60
ACD/KOC (pH 5.5): 11599.03
ACD/LogD (pH 7.4): 5.03
ACD/BCF (pH 7.4): 3913.36
ACD/KOC (pH 7.4): 12970.38
Polar Surface Area: 145 Å2
Polarizability: 86.5±0.5 10-24cm3
Surface Tension: 66.8±5.0 dyne/cm
Molar Volume: 592.5±5.0 cm3

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