Basic information
- CAS
478020-50-7- Standard SMILES
CC(=O)O.Oc1c2cccc1OCCOCCOCCOc1cccc(c1O)C=NCCN=C2.[Mn]- InChIKey
WKFXEEBWSNQCDU-BIYUQBHSSA-K- Molecular formula
- C24H30MnN2O8
- Average molar mass
- 529.4 g/mol
- Monoisotopic mass
- 529.138259
Names & identifiers
- Preferred name
- Acetic acid;manganese;13,16,19,22-tetraoxa-3,6-diazatricyclo[21.3.1.18,12]octacosa-1(27),2,6,8(28),9,11,23,25-octaene-27,28-diol
- IUPAC
- acetic acid;manganese;13,16,19,22-tetraoxa-3,6-diazatricyclo[21.3.1.18,12]octacosa-1(27),2,6,8(28),9,11,23,25-octaene-27,28-diol
- English name
- EUK-207
- Molecular formula
- C24H27MnN2O8
- Molecular weight
- 526.42
Names & synonyms
478020-50-7SCHEMBL30094616DTXSID20705464acetic acid;manganese;(1Z,7Z)-13,16,19,22-tetraoxa-3,6-diazatricyclo[21.3.1.18,12]octacosa-1,7,9,11,23,25-hexaene-27,28-dioneEUK-20713,16,19,22-Tetraoxa-3,6-diazatricyclo[21.3.1.1]octacosa-1,7,9,11,23,25-hexaene-27,28-dione, (1Z,7Z)-, acetate, manganese salt (1:1:1)
Database identifiers
- CAS
478020-50-7- PubChem CID
- 136348372
- DTXSID
DTXSID20705464
Properties
Computed structural properties
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 0
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 517
Physicochemical properties
- InChIKey
- WKFXEEBWSNQCDU-BIYUQBHSSA-K
- SMILES
- [O-]([Mn+3]123[O-]C4=C5OCCOCCOCCOC6C=CC=C(C=6[O-]1)C=N2CCN3=CC4=CC=C5)C(=O)C
Chemistry & industry
Suppliers2 total
Hebei Shengyuan Jinlong Import and Export Co. LTD+86-17367750398 · [email protected]
济南思考化学有限公司0531-0000 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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