Methyl 3-[8,13-dibromo-18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate
Basic information
- CAS
5432-34-8- Standard SMILES
COC(=O)CCC1=C(C)c2cc3[nH]c(cc4[nH]c(cc5nc(cc1n2)C(CCC(=O)OC)=C5C)c(Br)c4C)c(Br)c3C- InChIKey
ANQNJVZEPHTSKZ-UHFFFAOYSA-N- Molecular formula
- C32H32Br2N4O4
- Average molar mass
- 696.4 g/mol
- Monoisotopic mass
- 694.07903
Names & identifiers
- Preferred name
- Methyl 3-[8,13-dibromo-18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate
- IUPAC
- methyl 3-[8,13-dibromo-18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate
Names & synonyms
5432-34-8methyl 3-[8,13-dibromo-18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoateCID 409127NSC18513SCHEMBL6228924DTXSID80328299NSC-18513Dimethyl 3,3'-(7,12-dibromo-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoate
Database identifiers
- CAS
5432-34-8- PubChem CID
- 409127
- DTXSID
DTXSID80328299- Nikkaji
- J246.316D
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 959
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…