ChemSpider 2D Image | Methyl {(2S)-1-[2-(4-bromobenzyl)-2-{3-[(3R,6S,10Z)-3-hydroxy-6-(2-methyl-2-propanyl)-4,7-dioxo-5,8-diazabicyclo[11.2.2]heptadeca-1(15),10,13,16-tetraen-3-yl]propyl}hydrazino]-3,3-dimethyl-1-oxo-2-but anyl}carbamate | C37H52BrN5O6

Methyl {(2S)-1-[2-(4-bromobenzyl)-2-{3-[(3R,6S,10Z)-3-hydroxy-6-(2-methyl-2-propanyl)-4,7-dioxo-5,8-diazabicyclo[11.2.2]heptadeca-1(15),10,13,16-tetraen-3-yl]propyl}hydrazino]-3,3-dimethyl-1-oxo-2-but anyl}carbamate

  • Molecular FormulaC37H52BrN5O6
  • Average mass742.743 Da
  • Monoisotopic mass741.310059 Da
  • ChemSpider ID31146839

  • 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-(4-Bromobenzyl)-2-{3-[(3R,6S,10Z)-3-hydroxy-6-(2-méthyl-2-propanyl)-4,7-dioxo-5,8-diazabicyclo[11.2.2]heptadéca-1(15),10,13,16-tétraén-3-yl]propyl}hydrazino]-3,3-diméthyl-1-oxo-2-butanyl}ca rbamate de méthyle [French] [ACD/IUPAC Name]
Methyl {(2S)-1-[2-(4-bromobenzyl)-2-{3-[(3R,6S,10Z)-3-hydroxy-6-(2-methyl-2-propanyl)-4,7-dioxo-5,8-diazabicyclo[11.2.2]heptadeca-1(15),10,13,16-tetraen-3-yl]propyl}hydrazino]-3,3-dimethyl-1-oxo-2-but anyl}carbamate [ACD/IUPAC Name]
Methyl N-[(2s)-1-[2-[(4-Bromophenyl)methyl]-2-[3-[(3z,8s,11r)-8-Tert-Butyl-11-Oxidanyl-7,10-Bis(Oxidanylidene)-6,9-Diazabicyclo[11.2.2]heptadeca-1(15),3,13,16-Tetraen-11-Yl]propyl]hydrazinyl]-3,3-Dimethyl-1-Oxidanylidene-Butan-2-Yl]carbamate
Methyl-{(2S)-1-[2-(4-brombenzyl)-2-{3-[(3R,6S,10Z)-3-hydroxy-6-(2-methyl-2-propanyl)-4,7-dioxo-5,8-diazabicyclo[11.2.2]heptadeca-1(15),10,13,16-tetraen-3-yl]propyl}hydrazino]-3,3-dimethyl-1-oxo-2-buta nyl}carbamat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.549
Molar Refractivity: 192.8±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 4.93
ACD/LogD (pH 5.5): 4.78
ACD/BCF (pH 5.5): 2540.17
ACD/KOC (pH 5.5): 9516.72
ACD/LogD (pH 7.4): 4.78
ACD/BCF (pH 7.4): 2540.32
ACD/KOC (pH 7.4): 9517.27
Polar Surface Area: 149 Å2
Polarizability: 76.4±0.5 10-24cm3
Surface Tension: 44.9±3.0 dyne/cm
Molar Volume: 605.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement