ChemSpider 2D Image | 5-{[(2Z,9S)-9-Benzyl-15-isopropyl-18-({(11S)-17-isopropyl-2,5,8,11-tetramethyl-14-[2-(methylsulfanyl)ethyl]-10,19,20-trioxo-4,7,13,16-tetrathioxo-3,6,9,12,15,18-hexaazahenicosan-1-oyl}amino)-12,19-dim ethyl-5,8,11,14,17-pentaoxo-1-thia-4,7,10,13,16-pentaazacyclononadec-2-en-6-yl](hydroxy)methyl}-1,3-dimethyl-1H-imidazol-3-ium (non-preferred name) | C56H85N14O10S6

5-{[(2Z,9S)-9-Benzyl-15-isopropyl-18-({(11S)-17-isopropyl-2,5,8,11-tetramethyl-14-[2-(methylsulfanyl)ethyl]-10,19,20-trioxo-4,7,13,16-tetrathioxo-3,6,9,12,15,18-hexaazahenicosan-1-oyl}amino)-12,19-dim ethyl-5,8,11,14,17-pentaoxo-1-thia-4,7,10,13,16-pentaazacyclononadec-2-en-6-yl](hydroxy)methyl}-1,3-dimethyl-1H-imidazol-3-ium (non-preferred name)

  • Molecular FormulaC56H85N14O10S6
  • Average mass1306.751 Da
  • Monoisotopic mass1305.489136 Da
  • ChemSpider ID78443815

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 13 defined stereocentres

More details:

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

1H-Imidazolium, 5-[[(2Z,9S)-12,19-dimethyl-15-(1-methylethyl)-5,8,11,14,17-pentaoxo-9-(phenylmethyl)-18-[[(11S)-2,5,8,11-tetramethyl-17-(1-methylethyl)-14-[2-(methylthio)ethyl]-1,10,19,20-tetraoxo-4,7 ,13,16-tetrathioxo-3,6,9,12,15,18-hexaazaheneicos-1-yl]amino]-1-thia-4,7,10,13,16-pentaazacyclononadec-2-en-6-yl]hydroxymethyl]-1,3-dimethyl- [ACD/Index Name]
5-{[(2Z,9S)-9-Benzyl-15-isopropyl-18-({(11S)-17-isopropyl-2,5,8,11-tetramethyl-14-[2-(methylsulfanyl)ethyl]-10,19,20-trioxo-4,7,13,16-tetrathioxo-3,6,9,12,15,18-hexaazahenicosan-1-oyl}amino)-12,19-dim ethyl-5,8,11,14,17-pentaoxo-1-thia-4,7,10,13,16-pentaazacyclononadec-2-en-6-yl](hydroxy)methyl}-1,3-dimethyl-1H-imidazol-3-ium (non-preferred name) [German] [ACD/IUPAC Name]
5-{[(2Z,9S)-9-Benzyl-15-isopropyl-18-({(11S)-17-isopropyl-2,5,8,11-tetramethyl-14-[2-(methylsulfanyl)ethyl]-10,19,20-trioxo-4,7,13,16-tetrathioxo-3,6,9,12,15,18-hexaazahenicosan-1-oyl}amino)-12,19-dim ethyl-5,8,11,14,17-pentaoxo-1-thia-4,7,10,13,16-pentaazacyclononadec-2-en-6-yl](hydroxy)methyl}-1,3-dimethyl-1H-imidazol-3-ium (non-preferred name) [ACD/IUPAC Name]
5-{[(2Z,9S)-9-Benzyl-15-isopropyl-18-({(11S)-17-isopropyl-2,5,8,11-tétraméthyl-14-[2-(méthylsulfanyl)éthyl]-10,19,20-trioxo-4,7,13,16-tétrathioxo-3,6,9,12,15,18-hexaazahenicosan-1-oyl}amino)-12,19-dim éthyl-5,8,11,14,17-pentaoxo-1-thia-4,7,10,13,16-pentaazacyclononadéc-2-én-6-yl](hydroxy)méthyl}-1,3-diméthyl-1H-imidazol-3-ium (non-preferred name) [French] [ACD/IUPAC Name]
neothioviridamide

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: 24
#H bond donors: 13
#Freely Rotating Bonds: 27
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 506 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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