ChemSpider 2D Image | Dibenzyl [(2S,5S,8S,9R,10R,11S,14S,17S)-8,11-dibenzyl-9,10-dihydroxy-5,14-diisopropyl-3,6,13,16-tetraoxo-4,7,12,15-tetraazaoctadecane-2,17-diyl]biscarbamate (non-preferred name) | C50H64N6O10

Dibenzyl [(2S,5S,8S,9R,10R,11S,14S,17S)-8,11-dibenzyl-9,10-dihydroxy-5,14-diisopropyl-3,6,13,16-tetraoxo-4,7,12,15-tetraazaoctadecane-2,17-diyl]biscarbamate (non-preferred name)

  • Molecular FormulaC50H64N6O10
  • Average mass909.077 Da
  • Monoisotopic mass908.468384 Da
  • ChemSpider ID61712030
  • defined stereocentres - 7 of 8 defined stereocentres


More details:






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

[(2S,5S,8S,9R,10R,11S,14S,17S)-8,11-Dibenzyl-9,10-dihydroxy-5,14-diisopropyl-3,6,13,16-tétraoxo-4,7,12,15-tétraazaoctadécane-2,17-diyl]biscarbamate de dibenzyle (non-preferred name) [French] [ACD/IUPAC Name]
[(5S,11S,12R,13R,14S,17S,20S)-11,14-Dibenzyl-12,13-dihydroxy-8,17-diisopropyl-5-méthyl-3,6,9,16,19-pentaoxo-1-phényl-2-oxa-4,7,10,15,18-pentaazahénicosan-20-yl]carbamate de benzyle (non-preferred name ) [French] [ACD/IUPAC Name]
Benzyl [(5S,11S,12R,13R,14S,17S,20S)-11,14-dibenzyl-12,13-dihydroxy-8,17-diisopropyl-5-methyl-3,6,9,16,19-pentaoxo-1-phenyl-2-oxa-4,7,10,15,18-pentaazahenicosan-20-yl]carbamate (non-preferred name) [ACD/IUPAC Name]
Benzyl-[(5S,11S,12R,13R,14S,17S,20S)-11,14-dibenzyl-12,13-dihydroxy-8,17-diisopropyl-5-methyl-3,6,9,16,19-pentaoxo-1-phenyl-2-oxa-4,7,10,15,18-pentaazahenicosan-20-yl]carbamat (non-preferred name) [German] [ACD/IUPAC Name]
Dibenzyl [(2S,5S,8S,9R,10R,11S,14S,17S)-8,11-dibenzyl-9,10-dihydroxy-5,14-diisopropyl-3,6,13,16-tetraoxo-4,7,12,15-tetraazaoctadecane-2,17-diyl]biscarbamate (non-preferred name) [ACD/IUPAC Name]
Dibenzyl-[(2S,5S,8S,9R,10R,11S,14S,17S)-8,11-dibenzyl-9,10-dihydroxy-5,14-diisopropyl-3,6,13,16-tetraoxo-4,7,12,15-tetraazaoctadecan-2,17-diyl]biscarbamat (non-preferred name) [German] [ACD/IUPAC Name]
3TL
Benzyl [(1s,4s,7s,8r,9r,10s,13s,16s)-7,10-Dibenzyl-8,9-Dihydroxy-1,16-Dimethyl-4,13-Bis(1-Methylethyl)-2,5,12,15,18-Pentaoxo-20-Phenyl-19-Oxa-3,6,11,14,17-Pentaazaicos-1-Yl]carbamate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 1164.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 180.3±3.0 kJ/mol
Flash Point: 658.1±34.3 °C
Index of Refraction: 1.579
Molar Refractivity: 248.3±0.3 cm3
#H bond acceptors: 16
#H bond donors: 8
#Freely Rotating Bonds: 25
#Rule of 5 Violations: 4
ACD/LogP: 8.40
ACD/LogD (pH 5.5): 6.22
ACD/BCF (pH 5.5): 31184.92
ACD/KOC (pH 5.5): 57289.15
ACD/LogD (pH 7.4): 6.22
ACD/BCF (pH 7.4): 31179.31
ACD/KOC (pH 7.4): 57278.84
Polar Surface Area: 234 Å2
Polarizability: 98.5±0.5 10-24cm3
Surface Tension: 51.2±3.0 dyne/cm
Molar Volume: 747.6±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement