Basic information
- CAS
26640-04-0- Standard SMILES
CCC1=C(C)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(CC)c5C)c(C)c4C(=O)O)C(CCC(=O)O)=C3C- InChIKey
YFKMVGBGADHZTM-UHFFFAOYSA-N- Molecular formula
- C32H34N4O4
- Average molar mass
- 538.6 g/mol
- Monoisotopic mass
- 538.25800558
Names & identifiers
- Preferred name
- 18-Carboxy-8,12-diethyl-3,7,13,17-tetramethyl-21H,23H-porphine-2-propionic acid
- IUPAC
- 18-(2-carboxyethyl)-8,12-diethyl-3,7,13,17-tetramethyl-21,22-dihydroporphyrin-2-carboxylic acid
Names & synonyms
EINECS 247-868-926640-04-018-Carboxy-8,12-diethyl-3,7,13,17-tetramethyl-21H,23H-porphine-2-propionic acidYFKMVGBGADHZTM-UHFFFAOYSA-NDTXSID30113607518-(2-Carboxyethyl)-8,12-diethyl-3,7,13,17-tetramethylporphyrin-2-carboxylic acid18-Carboxy-8,12-diethyl-3,7,13,17-tetramethyl-21H,23H-porphine-2-propanoic acid
Database identifiers
- CAS
26640-04-0- PubChem CID
- 56842004
- DTXSID
DTXSID301136075- EC Number
- 247-868-9
- Nikkaji
- J248.987B
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 917
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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