Tolyporphin J
Basic information
- CAS
213546-89-5- Standard SMILES
Cc1cc2cc3nc(cc4cc(C)c(cc5nc(cc1[nH]2)C(=O)C5(C)O)[nH]4)C(=O)C3(C)O- InChIKey
KDTTYUOOJRPMSG-UHFFFAOYSA-N- Molecular formula
- C24H22N4O4
- Average molar mass
- 430.5 g/mol
- Monoisotopic mass
- 430.1641052
Overview
Tolyporphin J is a tetrapyrrole.
Names & identifiers
- Preferred name
- Tolyporphin J
- IUPAC
- 3,13-dihydroxy-3,7,13,18-tetramethyl-22,24-dihydroporphyrin-2,12-dione
Names & synonyms
Tolyporphin J213546-89-53,13-dihydroxy-3,7,13,18-tetramethyl-22,24-dihydroporphyrin-2,12-dioneDTXSID501046092RefChem:190345DTXCID9015279698,18-dihydroxy-2,8,13,18-tetramethyl-7H,8H,17H,18H-porphyrin-7,17-dioneCHEMBL465401SCHEMBL29884174CHEBI:2048958,18-Dihydroxy-2,8,13,18-tetramethyl-8,18-dihydro-21H,23H-porphine-7,17-dione21H,23H-Porphine-7,17-dione, 8,18-dihydro-8,18-dihydroxy-2,8,13,18-tetramethyl-
Database identifiers
- CAS
213546-89-5- PubChem CID
- 154165
- DTXSID
DTXSID501046092- ChEMBL
CHEMBL465401- ChEBI
CHEBI:204895- Nikkaji
- J1.004.135J
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 794
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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