ChemSpider 2D Image | Methyl [(2S)-1-{2-[(3R)-3-benzyl-3-hydroxy-4-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-4-oxobutyl]-2-(4-bromobenzyl)hydrazino}-3,3-dimethyl-1-oxo-2-butanyl]carbamate | C35H43BrN4O6

Methyl [(2S)-1-{2-[(3R)-3-benzyl-3-hydroxy-4-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-4-oxobutyl]-2-(4-bromobenzyl)hydrazino}-3,3-dimethyl-1-oxo-2-butanyl]carbamate

  • Molecular FormulaC35H43BrN4O6
  • Average mass695.643 Da
  • Monoisotopic mass694.236572 Da
  • ChemSpider ID24637589

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

[(2S)-1-{2-[(3R)-3-Benzyl-3-hydroxy-4-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-indén-1-yl]amino}-4-oxobutyl]-2-(4-bromobenzyl)hydrazino}-3,3-diméthyl-1-oxo-2-butanyl]carbamate de méthyle (non-preferred name ) [French] [ACD/IUPAC Name]
Methyl [(2S)-1-{2-[(3R)-3-benzyl-3-hydroxy-4-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-4-oxobutyl]-2-(4-bromobenzyl)hydrazino}-3,3-dimethyl-1-oxo-2-butanyl]carbamate [ACD/IUPAC Name]
Methyl-[(2S)-1-{2-[(3R)-3-benzyl-3-hydroxy-4-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-4-oxobutyl]-2-(4-brombenzyl)hydrazino}-3,3-dimethyl-1-oxo-2-butanyl]carbamat [German] [ACD/IUPAC 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.641
Molar Refractivity: 180.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 4
ACD/LogP: 6.38
ACD/LogD (pH 5.5): 5.21
ACD/BCF (pH 5.5): 5407.94
ACD/KOC (pH 5.5): 16345.69
ACD/LogD (pH 7.4): 5.21
ACD/BCF (pH 7.4): 5407.56
ACD/KOC (pH 7.4): 16344.56
Polar Surface Area: 140 Å2
Polarizability: 71.6±0.5 10-24cm3
Surface Tension: 64.8±5.0 dyne/cm
Molar Volume: 500.5±5.0 cm3

Click to predict properties on the Chemicalize site


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