ChemSpider 2D Image | Methyl [(2S)-1-{2-(2-{(3R,4S)-3-benzyl-4-hydroxy-1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-oxo-3-pyrrolidinyl}ethyl)-2-[4-(4-pyridinyl)benzyl]hydrazino}-3,3-dimethyl-1-oxo-2-butanyl]carbamate (non-preferred name) | C42H49N5O6

Methyl [(2S)-1-{2-(2-{(3R,4S)-3-benzyl-4-hydroxy-1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-oxo-3-pyrrolidinyl}ethyl)-2-[4-(4-pyridinyl)benzyl]hydrazino}-3,3-dimethyl-1-oxo-2-butanyl]carbamate (non-preferred name)

  • Molecular FormulaC42H49N5O6
  • Average mass719.868 Da
  • Monoisotopic mass719.368286 Da
  • ChemSpider ID28505492

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

[(2S)-1-{2-(2-{(3R,4S)-3-Benzyl-4-hydroxy-1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-indén-1-yl]-2-oxo-3-pyrrolidinyl}éthyl)-2-[4-(4-pyridinyl)benzyl]hydrazino}-3,3-diméthyl-1-oxo-2-butanyl]carbamate de méth yle [French] [ACD/IUPAC Name]
Methyl [(2S)-1-{2-(2-{(3R,4S)-3-benzyl-4-hydroxy-1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-oxo-3-pyrrolidinyl}ethyl)-2-[4-(4-pyridinyl)benzyl]hydrazino}-3,3-dimethyl-1-oxo-2-butanyl]carbamate (non-preferred name) [ACD/IUPAC Name]
Methyl-[(2S)-1-{2-(2-{(3R,4S)-3-benzyl-4-hydroxy-1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-oxo-3-pyrrolidinyl}ethyl)-2-[4-(4-pyridinyl)benzyl]hydrazino}-3,3-dimethyl-1-oxo-2-butanyl]carbamat ( non-preferred name) [German] [ACD/IUPAC Name]
Methyl [(2s)-1-{2-(2-{(3r,4s)-3-Benzyl-4-Hydroxy-1-[(1s,2r)-2-Hydroxy-2,3-Dihydro-1h-Inden-1-Yl]-2-Oxopyrrolidin-3-Yl}ethyl)-2-[4-(Pyridin-4-Yl)benzyl]hydrazinyl}-3,3-Dimethyl-1-Oxobutan-2-Yl]carbamate
UX9

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.625
Molar Refractivity: 201.7±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 4.83
ACD/LogD (pH 5.5): 4.13
ACD/BCF (pH 5.5): 643.71
ACD/KOC (pH 5.5): 2719.02
ACD/LogD (pH 7.4): 4.53
ACD/BCF (pH 7.4): 1632.85
ACD/KOC (pH 7.4): 6897.11
Polar Surface Area: 144 Å2
Polarizability: 80.0±0.5 10-24cm3
Surface Tension: 59.3±3.0 dyne/cm
Molar Volume: 570.4±3.0 cm3

Click to predict properties on the Chemicalize site


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