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ChemSpider 2D Image | [(4-{[3-(1-Hydroxyethyl)-12,15-diisobutyl-2,5,8,11,14,17,20-heptaoxo-6,9,18-tris{2-[(sulfonatomethyl)amino]ethyl}-1,4,7,10,13,16,19-heptaazacyclotricosan-21-yl]amino}-3-{[3-hydroxy-2-({2-[(6-methyloct anoyl)amino]-4-[(sulfonatomethyl)amino]butanoyl}amino)butanoyl]amino}-4-oxobutyl)amino]methanesulfonate | C58H105N16O28S5

[(4-{[3-(1-Hydroxyethyl)-12,15-diisobutyl-2,5,8,11,14,17,20-heptaoxo-6,9,18-tris{2-[(sulfonatomethyl)amino]ethyl}-1,4,7,10,13,16,19-heptaazacyclotricosan-21-yl]amino}-3-{[3-hydroxy-2-({2-[(6-methyloct anoyl)amino]-4-[(sulfonatomethyl)amino]butanoyl}amino)butanoyl]amino}-4-oxobutyl)amino]methanesulfonate

  • Molecular FormulaC58H105N16O28S5
  • Average mass1634.872 Da
  • Monoisotopic mass1633.591553 Da
  • ChemSpider ID26329515

  • Charge - Charge

More details:

Date of deprecation: 10:11, Aug 26, 2015
Reason for deprecation: Deprecate record: there are no supporting data sources.

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  • Chemically impossible structures (eg. incorrect valence atoms)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

[(4-{[3-(1-Hydroxyethyl)-12,15-diisobutyl-2,5,8,11,14,17,20-heptaoxo-6,9,18-tris{2-[(sulfonatomethyl)amino]ethyl}-1,4,7,10,13,16,19-heptaazacyclotricosan-21-yl]amino}-3-{[3-hydroxy-2-({2-[(6-methyloct anoyl)amino]-4-[(sulfonatomethyl)amino]butanoyl}amino)butanoyl]amino}-4-oxobutyl)amino]methanesulfonate [ACD/IUPAC Name]
[(4-{[3-(1-Hydroxyéthyl)-12,15-diisobutyl-2,5,8,11,14,17,20-heptaoxo-6,9,18-tris{2-[(sulfonatométhyl)amino]éthyl}-1,4,7,10,13,16,19-heptaazacyclotricosan-21-yl]amino}-3-{[3-hydroxy-2-({2-[(6-méthyloct anoyl)amino]-4-[(sulfonatométhyl)amino]butanoyl}amino)butanoyl]amino}-4-oxobutyl)amino]méthanesulfonate [French] [ACD/IUPAC Name]
[(4-{[3-(1-Hydroxyethyl)-12,15-diisobutyl-2,5,8,11,14,17,20-heptaoxo-6,9,18-tris{2-[(sulfonatomethyl)amino]ethyl}-1,4,7,10,13,16,19-heptaazacyclotricosan-21-yl]amino}-3-{[3-hydroxy-2-({2-[(6-methyloct anoyl)amino]-4-[(sulfonatomethyl)amino]butanoyl}amino)butanoyl]amino}-4-oxobutyl)amino]methansulfonat [German] [ACD/IUPAC Name]
2,6,9,14-Tetraazapentadecane-1,15-disulfonic acid, 8-(1-hydroxyethyl)-5-[[[3-(1-hydroxyethyl)-12,15-bis(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-6,9,18-tris[2-[(sulfomethyl)amino]ethyl]-1,4,7,10,13, 16,19-heptaazacyclotricos-21-yl]amino]carbonyl]-11-[(6-methyl-1-oxooctyl)amino]-7,10-dioxo-, ion(5-) [ACD/Index Name]
[(3-{3-hydroxy-2-[2-(6-methyloctanamido)-4-[(sulfonatomethyl)amino]butanamido]butanamido}-3-{[3-(1-hydroxyethyl)-12,15-bis(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-6,9,18-tris({2-[(sulfonatomethyl)amino]ethyl})-1,4,7,10,13,16,19-heptaazacyclotricosan-21-yl]carbamoyl}propyl)amino]methanesulfonate
12705-41-8 [RN]
Colistimethate
Colistin methanesulfonic acid; Colistin sulfomethate; Colistinmethanesulfonic acid
DL2R53P963

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: 44
#H bond donors: 23
#Freely Rotating Bonds: 44
#Rule of 5 Violations: 3
ACD/LogP: -11.82
ACD/LogD (pH 5.5): -15.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -15.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 749 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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