ChemSpider 2D Image | Methyl [(2s)-1-(2-{3-[(3r,6s,10z)-3-Hydroxy-4,7-Dioxo-6-(Propan-2-Yl)-5,8-Diazabicyclo[11.2.2]heptadeca-1(15),10,13,16-Tetraen-3-Yl]propyl}-2-[4-(Pyridin-3-Yl)benzyl]hydrazinyl)-3,3-Dimethyl-1-Oxobutan-2-Yl]carbamate | C41H54N6O6

Methyl [(2s)-1-(2-{3-[(3r,6s,10z)-3-Hydroxy-4,7-Dioxo-6-(Propan-2-Yl)-5,8-Diazabicyclo[11.2.2]heptadeca-1(15),10,13,16-Tetraen-3-Yl]propyl}-2-[4-(Pyridin-3-Yl)benzyl]hydrazinyl)-3,3-Dimethyl-1-Oxobutan-2-Yl]carbamate

  • Molecular FormulaC41H54N6O6
  • Average mass726.904 Da
  • Monoisotopic mass726.410461 Da
  • ChemSpider ID35033731

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

[(2S)-1-(2-{3-[(3R,6S,10Z)-3-Hydroxy-6-isopropyl-4,7-dioxo-5,8-diazabicyclo[11.2.2]heptadéca-1(15),10,13,16-tétraén-3-yl]propyl}-2-[4-(3-pyridinyl)benzyl]hydrazino)-3,3-diméthyl-1-oxo-2-butanyl]carbam ate de méthyle (non-preferred name) [French] [ACD/IUPAC Name]
Methyl [(2s)-1-(2-{3-[(3r,6s,10z)-3-Hydroxy-4,7-Dioxo-6-(Propan-2-Yl)-5,8-Diazabicyclo[11.2.2]heptadeca-1(15),10,13,16-Tetraen-3-Yl]propyl}-2-[4-(Pyridin-3-Yl)benzyl]hydrazinyl)-3,3-Dimethyl-1-Oxobutan-2-Yl]carbamate
Methyl [(2S)-1-(2-{3-[(3R,6S,10Z)-3-hydroxy-6-isopropyl-4,7-dioxo-5,8-diazabicyclo[11.2.2]heptadeca-1(15),10,13,16-tetraen-3-yl]propyl}-2-[4-(3-pyridinyl)benzyl]hydrazino)-3,3-dimethyl-1-oxo-2-butanyl ]carbamate (non-preferred name) [ACD/IUPAC Name]
Methyl-[(2S)-1-(2-{3-[(3R,6S,10Z)-3-hydroxy-6-isopropyl-4,7-dioxo-5,8-diazabicyclo[11.2.2]heptadeca-1(15),10,13,16-tetraen-3-yl]propyl}-2-[4-(3-pyridinyl)benzyl]hydrazino)-3,3-dimethyl-1-oxo-2-butanyl ]carbamat (non-preferred name) [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.555
Molar Refractivity: 203.5±0.3 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 4.25
ACD/LogD (pH 5.5): 4.23
ACD/BCF (pH 5.5): 909.70
ACD/KOC (pH 5.5): 4219.96
ACD/LogD (pH 7.4): 4.35
ACD/BCF (pH 7.4): 1193.14
ACD/KOC (pH 7.4): 5534.80
Polar Surface Area: 162 Å2
Polarizability: 80.7±0.5 10-24cm3
Surface Tension: 45.5±3.0 dyne/cm
Molar Volume: 634.1±3.0 cm3

Click to predict properties on the Chemicalize site


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