Basic information
- CAS
97067-70-4- Standard SMILES
CC1=C(CCC(=O)O)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C)c5C(C)O)c(C)c4C(C)OC(C)c1c(C)c2cc4nc(cc5nc(cc6[nH]c(cc1[nH]2)c(C)c6C(C)O)C(C)=C5CCC(=O)O)C(CCC(=O)O)=C4C)C(C)=C3CCC(=O)O- InChIKey
UZFPOOOQHWICKY-UHFFFAOYSA-N- Molecular formula
- C68H74N8O11
- Average molar mass
- 1,179.4 g/mol
- Monoisotopic mass
- 1,178.54770521
Names & identifiers
- Preferred name
- 3-[13-[1-[1-[8,12-Bis(2-carboxyethyl)-17-(1-hydroxyethyl)-3,7,13,18-tetramethyl-21,24-dihydroporphyrin-2-yl]ethoxy]ethyl]-18-(2-carboxyethyl)-8-(1-hydroxyethyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid
- IUPAC
- 3-[13-[1-[1-[8,12-bis(2-carboxyethyl)-17-(1-hydroxyethyl)-3,7,13,18-tetramethyl-21,24-dihydroporphyrin-2-yl]ethoxy]ethyl]-18-(2-carboxyethyl)-8-(1-hydroxyethyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid
Names & synonyms
SCHEMBL27556448SCHEMBL29441885DTXSID201365118
Database identifiers
- CAS
97067-70-4- PubChem CID
- 57166
- DTXSID
DTXSID201365118- UNII
- 625J2HS54G
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 314 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 18
- Heavy atoms
- 87
- Formal charge
- 0
- Complexity
- 2,360
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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