Found 1 result

Search term: KTXGTJRUYOGULA-HECCNADXSA-P (Found by InChIKey (full match))
ChemSpider 2D Image | 2-[(5S,8S,10S,11S,14S)-8,11-Dibenzyl-10-hydroxy-5,14-diisopropyl-2,17-dimethyl-3,6,13,16-tetraoxo-18-(2-pyridiniumyl)-2,4,7,12,15,17-hexaazaoctadec-1-yl]pyridinium | C44H60N8O5

2-[(5S,8S,10S,11S,14S)-8,11-Dibenzyl-10-hydroxy-5,14-diisopropyl-2,17-dimethyl-3,6,13,16-tetraoxo-18-(2-pyridiniumyl)-2,4,7,12,15,17-hexaazaoctadec-1-yl]pyridinium

  • Molecular FormulaC44H60N8O5
  • Average mass780.997 Da
  • Monoisotopic mass780.467590 Da
  • ChemSpider ID393583

  • Charge - Charge

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2-[(5S,8S,10S,11S,14S)-8,11-Dibenzyl-10-hydroxy-5,14-diisopropyl-2,17-dimethyl-3,6,13,16-tetraoxo-18-(2-pyridiniumyl)-2,4,7,12,15,17-hexaazaoctadec-1-yl]pyridinium [ACD/IUPAC Name]
2-[(5S,8S,10S,11S,14S)-8,11-Dibenzyl-10-hydroxy-5,14-diisopropyl-2,17-dimethyl-3,6,13,16-tetraoxo-18-(2-pyridiniumyl)-2,4,7,12,15,17-hexaazaoctadec-1-yl]pyridinium [German] [ACD/IUPAC Name]
2-[(5S,8S,10S,11S,14S)-8,11-Dibenzyl-10-hydroxy-5,14-diisopropyl-2,17-diméthyl-3,6,13,16-tétraoxo-18-(2-pyridiniumyl)-2,4,7,12,15,17-hexaazaoctadéc-1-yl]pyridinium [French] [ACD/IUPAC Name]
Pyridinium, 2-[(5S,8S,10S,11S,14S)-10-hydroxy-2,17-dimethyl-5,14-bis(1-methylethyl)-3,6,13,16-tetraoxo-8,11-bis(phenylmethyl)-18-(2-pyridiniumyl)-2,4,7,12,15,17-hexaazaoctadec-1-yl]- [ACD/Index Name]
A78
N-{1-BENZYL-3-HYDROXY-4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-5-PHENYL-PENTYL}-3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRAMIDE

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

A-78791 [DBID]

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

Density:
Boiling Point: 1068.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 164.0±3.0 kJ/mol
Flash Point: 600.0±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: 3.97
ACD/LogD (pH 5.5): 4.07
ACD/BCF (pH 5.5): 667.17
ACD/KOC (pH 5.5): 3254.73
ACD/LogD (pH 7.4): 4.25
ACD/BCF (pH 7.4): 998.93
ACD/KOC (pH 7.4): 4873.19
Polar Surface Area: 171 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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