ChemSpider 2D Image | Dimethyl (5S,8R,9S,12S,13R,16S)-5,16-dibenzyl-9,12-dimethyl-3,6,15,18-tetraoxo-1,20-diphenyl-2,19-dioxa-10,11-diselena-4,7,14,17-tetraazaicosane-8,13-dicarboxylate | C44H50N4O10Se2

Dimethyl (5S,8R,9S,12S,13R,16S)-5,16-dibenzyl-9,12-dimethyl-3,6,15,18-tetraoxo-1,20-diphenyl-2,19-dioxa-10,11-diselena-4,7,14,17-tetraazaicosane-8,13-dicarboxylate

  • Molecular FormulaC44H50N4O10Se2
  • Average mass952.809 Da
  • Monoisotopic mass954.185730 Da
  • ChemSpider ID30659185

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(5S,8R,9S,12S,13R,16S)-5,16-Dibenzyl-9,12-diméthyl-3,6,15,18-tétraoxo-1,20-diphényl-2,19-dioxa-10,11-diséléna-4,7,14,17-tétraazaicosane-8,13-dicarboxylate de diméthyle [French] [ACD/IUPAC Name]
2,19-Dioxa-10,11-diselena-4,7,14,17-tetraazaeicosane-8,13-dicarboxylic acid, 9,12-dimethyl-3,6,15,18-tetraoxo-1,20-diphenyl-5,16-bis(phenylmethyl)-, dimethyl ester, (5S,8R,9S,12S,13R,16S)- [ACD/Index Name]
Dimethyl (5S,8R,9S,12S,13R,16S)-5,16-dibenzyl-9,12-dimethyl-3,6,15,18-tetraoxo-1,20-diphenyl-2,19-dioxa-10,11-diselena-4,7,14,17-tetraazaicosane-8,13-dicarboxylate [ACD/IUPAC Name]
Dimethyl-(5S,8R,9S,12S,13R,16S)-5,16-dibenzyl-9,12-dimethyl-3,6,15,18-tetraoxo-1,20-diphenyl-2,19-dioxa-10,11-diselena-4,7,14,17-tetraazaicosan-8,13-dicarboxylat [German] [ACD/IUPAC Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 14
#H bond donors: 4
#Freely Rotating Bonds: 25
#Rule of 5 Violations: 3
ACD/LogP: 10.79
ACD/LogD (pH 5.5): 7.56
ACD/BCF (pH 5.5): 325337.31
ACD/KOC (pH 5.5): 307114.88
ACD/LogD (pH 7.4): 7.55
ACD/BCF (pH 7.4): 325044.88
ACD/KOC (pH 7.4): 306838.84
Polar Surface Area: 187 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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