ZINC methyl 12-ethenyl-7-ethyl-20-(2-methoxy-2-oxoethyl)-18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethyl-17,18-dihydroporphyrin-22,24-diide-2-carboxylate
Basic information
- CAS
55744-33-7- Standard SMILES
C=CC1=C(C)c2cc3[n-]c(c(CC(=O)OC)c4nc(cc5[n-]c(cc1n2)c(C)c5CC)C(C)=C4C(=O)OC)C(CCC(=O)OC)C3C.[Zn+2]- InChIKey
XFYXLVLIMSPTEU-UHFFFAOYSA-M- Molecular formula
- C37H40N4O6Zn
- Average molar mass
- 702.1 g/mol
- Monoisotopic mass
- 700.223927
Names & identifiers
- Preferred name
- ZINC methyl 12-ethenyl-7-ethyl-20-(2-methoxy-2-oxoethyl)-18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethyl-17,18-dihydroporphyrin-22,24-diide-2-carboxylate
- IUPAC
- zinc methyl 12-ethenyl-7-ethyl-20-(2-methoxy-2-oxoethyl)-18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethyl-17,18-dihydroporphyrin-22,24-diide-2-carboxylate
Names & synonyms
NSC40990455744-33-7NSC-409904
Database identifiers
- CAS
55744-33-7- PubChem CID
- 437199
- DTXSID
DTXSID40331320
Properties
Computed structural properties
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 11
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,660
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