Basic information
- Standard SMILES
Cc1oc2nc1C(O)=NCc1nc(cs1)C(O)=NC(CC[S+](C)[O-])c1nc(cs1)C(O)=NC2C- InChIKey
ILKYNUWKOMIMLZ-UHFFFAOYSA-N- Molecular formula
- C20H22N6O5S3
- Average molar mass
- 522.6 g/mol
- Monoisotopic mass
- 522.0813808
Overview
4,7-Dimethyl-18-(2-methylsulfinylethyl)-6-oxa-13,20-dithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione has been reported in Nostoc with data available.
Names & identifiers
- Preferred name
- 4,7-Dimethyl-18-(2-methylsulfinylethyl)-6-oxa-13,20-dithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione
- IUPAC
- 4,7-dimethyl-18-(2-methylsulfinylethyl)-6-oxa-13,20-dithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 232 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 3
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 822
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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