Chlorin p6
Basic information
- CAS
22006-68-4- Standard SMILES
C=Cc1c(C)c2cc3nc(c(C(=O)O)c4nc(cc5[nH]c(cc1[nH]2)c(C)c5CC)C(C)=C4C(=O)O)[C@@H](CCC(=O)O)[C@@H]3C- InChIKey
DMZZVYWKIILRLD-MWQRFUPKSA-N- Molecular formula
- C33H34N4O6
- Average molar mass
- 582.6 g/mol
- Monoisotopic mass
- 582.24783482
Names & identifiers
- Preferred name
- Chlorin p6
- IUPAC
- (17S,18S)-18-(2-carboxyethyl)-12-ethenyl-7-ethyl-3,8,13,17-tetramethyl-17,18,22,23-tetrahydroporphyrin-2,20-dicarboxylic acid
- English name
- chlorin p6
- Molecular formula
- C33H34N4O6
- Molecular weight
- 582.65
Names & synonyms
Chlorin p622006-68-4(17S,18S)-18-(2-carboxyethyl)-12-ethenyl-7-ethyl-3,8,13,17-tetramethyl-17,18,22,23-tetrahydroporphyrin-2,20-dicarboxylic acid(5Z,10Z,14Z,17S,18S,19E)-18-(2-carboxyethyl)-7-ethyl-3,8,13,17-tetramethyl-12-vinyl-17,18,21,23-tetrahydroporphyrin-2,20-dicarboxylic acid21H,23H-Porphine-2,20-dicarboxylic acid, 18-(2-carboxyethyl)-12-ethenyl-7-ethyl-17,18-dihydro-3,8,13,17-tetramethyl-, (17S-trans)-21H,23H-Porphine-2,20-dicarboxylic acid, 18-(2-carboxyethyl)-12-ethenyl-7-ethyl-17,18-dihydro-3,8,13,17-tetramethyl-, (17S,18S)-
Database identifiers
- CAS
22006-68-4- PubChem CID
- 5489033
- Nikkaji
- J2.290.966E、J771.993K
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 169 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,070
Physicochemical properties
- Boiling point
- 1061.8 · 1061.8±65.0 °C(Predicted)
- Density
- 1.318 · 1.318±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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