Silver ionophore IV
Basic information
- CAS
145237-25-8- Standard SMILES
CSCCOc1c2cc(C(C)(C)C)cc1Cc1cc(C(C)(C)C)cc(c1O)Cc1cc(C(C)(C)C)cc(c1OCCSC)Cc1cc(C(C)(C)C)cc(c1O)C2- InChIKey
DKWOMOMMOUZRFI-UHFFFAOYSA-N- Molecular formula
- C50H68O4S2
- Average molar mass
- 797.2 g/mol
- Monoisotopic mass
- 796.45590299
Names & identifiers
- Preferred name
- Silver ionophore IV
- IUPAC
- 5,11,17,23-tetratert-butyl-26,28-bis(2-methylsulfanylethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,27-diol
- English name
- O,O''-Bis[2-(methylthio)ethyl]-tert-butylcalix[4]arene
- Molecular formula
- C50H68O4S2
- Molecular weight
- 797.2
Names & synonyms
Silver ionophore IV145237-25-8DTXSID00411713RefChem:380522DTXCID10362565O,O''-Bis[2-(methylthio)ethyl]-tert-butylcalix[4]arene5,11,17,23-tetratert-butyl-26,28-bis(2-methylsulfanylethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,27-diolO,O/'/'-BIS[2-(METHYLTHIO)ETHYL]-TERT-BUTYLCALIX[4]ARENEO,O inverted exclamation marka inverted exclamation marka-Bis[2-(methylthio)ethyl]-tert-butylcalix[4]arenesilver iono-phore-ivSCHEMBL303880981~5~,3~5~,5~5~,7~5~-Tetra-tert-butyl-3~2~,7~2~-bis[2-(methylsulfanyl)ethoxy]-1,3,5,7(1,3)-tetrabenzenacyclooctaphane-1~2~,5~2~-diol
Show more names
Pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-25,27-diol, 5,11,17,23-tetrakis(1,1-dimethylethyl)-26,28-bis[2-(methylthio)ethoxy]-
Properties
Computed structural properties
- XLogP
- 14.9
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 56
- Formal charge
- 0
- Complexity
- 1,050
Physicochemical properties
- BRN
- 6170641 · 6170641
- WGK Germany
- 3 · 3
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
- wgk
- 3
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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