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

1-Hydroxy-2-methyl-2-propanyl [(2S,3S,5R)-3-hydroxy-6-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-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 ID4881882

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

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

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

AIDS293212 [DBID]
AIDS-293212 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 922.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 140.5±3.0 kJ/mol
Flash Point: 511.7±34.3 °C
Index of Refraction: 1.626
Molar Refractivity: 190.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 4.07
ACD/LogD (pH 5.5): 3.01
ACD/BCF (pH 5.5): 65.36
ACD/KOC (pH 5.5): 359.92
ACD/LogD (pH 7.4): 3.96
ACD/BCF (pH 7.4): 588.95
ACD/KOC (pH 7.4): 3243.51
Polar Surface Area: 150 Å2
Polarizability: 75.5±0.5 10-24cm3
Surface Tension: 63.8±5.0 dyne/cm
Molar Volume: 538.4±5.0 cm3

Click to predict properties on the Chemicalize site


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