ChemSpider 2D Image | Dibenzyl (9S,12S,17S,20S)-12,17-diamino-3,11,18,26-tetraoxo-1,28-diphenyl-2,27-dioxa-4,10,19,25-tetraazaoctacosane-9,20-dicarboxylate | C50H64N6O10

Dibenzyl (9S,12S,17S,20S)-12,17-diamino-3,11,18,26-tetraoxo-1,28-diphenyl-2,27-dioxa-4,10,19,25-tetraazaoctacosane-9,20-dicarboxylate

  • Molecular FormulaC50H64N6O10
  • Average mass909.077 Da
  • Monoisotopic mass908.468384 Da
  • ChemSpider ID10141489
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(9S,12S,17S,20S)-12,17-Diamino-3,11,18,26-tétraoxo-1,28-diphényl-2,27-dioxa-4,10,19,25-tétraazaoctacosane-9,20-dicarboxylate de dibenzyle [French] [ACD/IUPAC Name]
Dibenzyl (9S,12S,17S,20S)-12,17-diamino-3,11,18,26-tetraoxo-1,28-diphenyl-2,27-dioxa-4,10,19,25-tetraazaoctacosane-9,20-dicarboxylate [ACD/IUPAC Name]
Dibenzyl-(9S,12S,17S,20S)-12,17-diamino-3,11,18,26-tetraoxo-1,28-diphenyl-2,27-dioxa-4,10,19,25-tetraazaoctacosan-9,20-dicarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 1057.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 155.1±3.0 kJ/mol
Flash Point: 593.1±34.3 °C
Index of Refraction: 1.575
Molar Refractivity: 248.9±0.3 cm3
#H bond acceptors: 16
#H bond donors: 8
#Freely Rotating Bonds: 33
#Rule of 5 Violations: 4
ACD/LogP: 5.93
ACD/LogD (pH 5.5): 0.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 3.21
ACD/BCF (pH 7.4): 73.93
ACD/KOC (pH 7.4): 297.04
Polar Surface Area: 240 Å2
Polarizability: 98.7±0.5 10-24cm3
Surface Tension: 52.2±3.0 dyne/cm
Molar Volume: 752.8±3.0 cm3

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