ChemSpider 2D Image | 2-Methyl-2-propanyl [(2S,3S,5R)-6-{[(1S,2S,3S)-2,3-dihydroxy-2,3-dihydro-1H-inden-1-yl]amino}-3-hydroxy-5-{4-[2-(4-morpholinyl)ethoxy]benzyl}-6-oxo-1-phenyl-2-hexanyl]carbamate | C39H51N3O8

2-Methyl-2-propanyl [(2S,3S,5R)-6-{[(1S,2S,3S)-2,3-dihydroxy-2,3-dihydro-1H-inden-1-yl]amino}-3-hydroxy-5-{4-[2-(4-morpholinyl)ethoxy]benzyl}-6-oxo-1-phenyl-2-hexanyl]carbamate

  • Molecular FormulaC39H51N3O8
  • Average mass689.838 Da
  • Monoisotopic mass689.367615 Da
  • ChemSpider ID7985948

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

[(2S,3S,5R)-6-{[(1S,2S,3S)-2,3-Dihydroxy-2,3-dihydro-1H-indén-1-yl]amino}-3-hydroxy-5-{4-[2-(4-morpholinyl)éthoxy]benzyl}-6-oxo-1-phényl-2-hexanyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [(2S,3S,5R)-6-{[(1S,2S,3S)-2,3-dihydroxy-2,3-dihydro-1H-inden-1-yl]amino}-3-hydroxy-5-{4-[2-(4-morpholinyl)ethoxy]benzyl}-6-oxo-1-phenyl-2-hexanyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(2S,3S,5R)-6-{[(1S,2S,3S)-2,3-dihydroxy-2,3-dihydro-1H-inden-1-yl]amino}-3-hydroxy-5-{4-[2-(4-morpholinyl)ethoxy]benzyl}-6-oxo-1-phenyl-2-hexanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,2S,4R)-5-[[(1S,2S,3S)-2,3-dihydro-2,3-dihydroxy-1H-inden-1-yl]amino]-2-hydroxy-4-[[4-[2-(4-morpholinyl)ethoxy]phenyl]methyl]-5-oxo-1-(phenylmethyl)pentyl]-, 1,1-dimethylethyl est er [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 917.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.8±3.0 kJ/mol
Flash Point: 508.9±34.3 °C
Index of Refraction: 1.625
Molar Refractivity: 190.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 4.53
ACD/LogD (pH 5.5): 3.14
ACD/BCF (pH 5.5): 82.81
ACD/KOC (pH 5.5): 426.42
ACD/LogD (pH 7.4): 4.10
ACD/BCF (pH 7.4): 746.16
ACD/KOC (pH 7.4): 3842.11
Polar Surface Area: 150 Å2
Polarizability: 75.5±0.5 10-24cm3
Surface Tension: 63.2±5.0 dyne/cm
Molar Volume: 539.0±5.0 cm3

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