ChemSpider 2D Image | 6-amino hexanoic acid | C33H40N4O6

6-amino hexanoic acid

  • Molecular FormulaC33H40N4O6
  • Average mass588.694 Da
  • Monoisotopic mass588.294800 Da
  • ChemSpider ID4484343

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

[(2S)-1-{2-Benzyl-2-[(2S)-2-benzyl-2-hydroxy-3-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-indén-1-yl]amino}-3-oxopropyl]hydrazino}-3-méthyl-1-oxo-2-butanyl]carbamate de méthyle [French] [ACD/IUPAC Name]
6-amino hexanoic acid
Methyl [(2S)-1-{2-benzyl-2-[(2S)-2-benzyl-2-hydroxy-3-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-3-oxopropyl]hydrazino}-3-methyl-1-oxo-2-butanyl]carbamate [ACD/IUPAC Name]
Methyl-[(2S)-1-{2-benzyl-2-[(2S)-2-benzyl-2-hydroxy-3-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-3-oxopropyl]hydrazino}-3-methyl-1-oxo-2-butanyl]carbamat [German] [ACD/IUPAC Name]
A1A
CHEMBL197165

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

AIDS347651 [DBID]
AIDS-347651 [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.636
Molar Refractivity: 163.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 4
ACD/LogP: 5.66
ACD/LogD (pH 5.5): 4.28
ACD/BCF (pH 5.5): 1045.98
ACD/KOC (pH 5.5): 5043.04
ACD/LogD (pH 7.4): 4.28
ACD/BCF (pH 7.4): 1045.78
ACD/KOC (pH 7.4): 5042.04
Polar Surface Area: 140 Å2
Polarizability: 64.8±0.5 10-24cm3
Surface Tension: 64.1±5.0 dyne/cm
Molar Volume: 456.0±5.0 cm3

Click to predict properties on the Chemicalize site


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