Calcium ionophore V
Basic information
- CAS
160563-01-9- Standard SMILES
CCCCCCCCCCCCCCCCCCNC(=O)COCC(=O)N1CCOCCOCCOCCN(C(=O)COCC(=O)NCCCCCCCCCCCCCCCCCC)CCOCCOCC1- InChIKey
LKKJODPUVIMZGC-UHFFFAOYSA-N- Molecular formula
- C58H112N4O11
- Average molar mass
- 1,041.5 g/mol
- Monoisotopic mass
- 1,040.8327604
Names & identifiers
- Preferred name
- Calcium ionophore V
- IUPAC
- N-octadecyl-2-[2-[19-[2-[2-(octadecylamino)-2-oxoethoxy]acetyl]-1,4,7,13,16-pentaoxa-10,19-diazacyclohenicos-10-yl]-2-oxoethoxy]acetamide
- English name
- 10,19-Bis[(octadecylcarbamoyl)methoxy-acetyl]-1,4,7,13,16-pentaoxa-10,19-diazacycloheneicosane
- Molecular formula
- C58H112N4O11
- Molecular weight
- 1041.53
Names & synonyms
160563-01-9Calcium ionophore VDTXSID00404908RefChem:331592DTXCID80355762N-octadecyl-2-[2-[19-[2-[2-(octadecylamino)-2-oxoethoxy]acetyl]-1,4,7,13,16-pentaoxa-10,19-diazacyclohenicos-10-yl]-2-oxoethoxy]acetamideAcetamide, 2,2'-[1,4,7,13,16-pentaoxa-10,19-diazacycloheneicosane-10,19-diylbis[(2-oxo-2,1-ethanediyl)oxy]]bis[N-octadecyl-10,19-BIS[(OCTADECYLCARBAMOYL)METHOXY-ACETYL]-1,4,7,13,16-PENTAOXA-10,19-DIAZACYCLOHENEICOSANEN-OCTADECYL-2-[2-(19-{2-[(OCTADECYLCARBAMOYL)METHOXY]ACETYL}-1,4,7,13,16-PENTAOXA-10,19-DIAZACYCLOHENICOSAN-10-YL)-2-OXOETHOXY]ACETAMIDE2,2'-(((1,4,7,13,16-Pentaoxa-10,19-diazacyclohenicosane-10,19-diyl)bis(2-oxoethane-2,1-diyl))bis(oxy))bis(N-octadecylacetamide)calcium-ionophore vSCHEMBL713092
Show more names
K23E1Ionophore-K23E1K23E1, 10,19-Bis[(octadecylcarbamoyl)met4,16-Bis[(N-octadecylcarbamoyl)-3-oxabutyryl]-1,7,10,13,19-pentaoxa-4,16-diazacyclohenicosaneK23E1, 10,19-Bis[(octadecylcarbamoyl)methoxyacetyl]-1,4,7,13,16-pentaoxa-10,19-diazacycloheneicosane
C58H112N4O11MFCD01075077AKOS03764787110,19-Bis[(octadecylcarbamoyl)methoxyacetyl]-1,4,7,13,16-pentaoxa-10,19-diazacycloheneicosaneAS-75111D95876Calcium ionophore V, Selectophore(TM), >=95%2,2'-[1,4,7,13,16-Pentaoxa-10,19-diazacycloheneicosane-10,19-diylbis[(2-oxo-2,1-ethanediyl)oxy]]bis[N-octadecylacetamide]
Database identifiers
- CAS
160563-01-9- PubChem CID
- 4614858
- DTXSID
DTXSID00404908- Nikkaji
- J1.202.348K
Properties
Computed structural properties
- XLogP
- 14.4
- Topological polar surface area
- 163 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 42
- Heavy atoms
- 73
- Formal charge
- 0
- Complexity
- 1,140
Physicochemical properties
- Boiling point
- 1052.7 · 1052.7±65.0 °C(Predicted)
- Density
- 0.985 · 0.985±0.06 g/cm3(Predicted)
- pka
- 14.53 · 14.53±0.46(Predicted)
- form
- powder
- InChIKey
- LKKJODPUVIMZGC-UHFFFAOYSA-N
- SMILES
- CCCCCCCCCCCCCCCCCCNC(=O)COCC(=O)N1CCOCCOCCOCCN(CCOCCOCC1)C(=O)COCC(=O)NCCCCCCCCCCCCCCCCCC
- UNSPSC Code
- 26111700 · 26111700
- NACRES
- 61 · NB.61
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- Safety Statements
- 22 · 22-24/25
- WGK Germany
- 3 · 3
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- safety_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesSelected application examplesCalcium ionophore V (K23E1) may be used in fabricating calcium on to the waveguide sensor to understand the selectivity of the specific ion and also measure its concentration.
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Related reactions
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Compound notes
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