Basic information
- Standard SMILES
CCc1c(Cc2[nH]c(C=O)c(C)c2CCCO)[nH]c(Cc2[nH]c(C=O)c(C)c2CCCO)c1CC- InChIKey
OOOQNKMJLOLMHC-UHFFFAOYSA-N- Molecular formula
- C28H39N3O4
- Average molar mass
- 481.6 g/mol
- Monoisotopic mass
- 481.29405673
Names & identifiers
- Preferred name
- Porphyrin precursor
- IUPAC
- 5-[[3,4-diethyl-5-[[5-formyl-3-(3-hydroxypropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-1H-pyrrol-2-yl]methyl]-4-(3-hydroxypropyl)-3-methyl-1H-pyrrole-2-carbaldehyde
Names & synonyms
Porphyrin precursor149365-62-8TPY-56285-[[3,4-diethyl-5-[[5-formyl-3-(3-hydroxypropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-1H-pyrrol-2-yl]methyl]-4-(3-hydroxypropyl)-3-methyl-1H-pyrrole-2-carbaldehyde5,5'-((3,4-diethyl-1H-pyrrole-2,5-diyl)bis(methylene))bis(4-(3-hydroxypropyl)-3-methyl-1H-pyrrole-2-carbaldehyde)OOOQNKMJLOLMHC-UHFFFAOYSA-N5,5'-[(3,4-Diethyl-1H-pyrrole-2,5-diyl)bis(methylene)]bis[4-(3-hydroxypropyl)-3-methyl-1H-pyrrole-2-carbaldehyde]AGN-PC-004ZVASCHEMBL4107546DTXSID00459675DA-77006HY-117544
Show more names
CS-00664202,5-Bis[(5-formyl-3-hydroxypropyl-4-methylpyrrol-2-yl) methyl]-3,4-diethylpyrrole2,5-Bis[(5-formyl-3-hydroxypropyl-4-methylpyrrol-2-yl)methyl]-3,4-diethylpyrrole1H-Pyrrole-2-carboxaldehyde, 5,5'-[(3,4-diethyl-1H-pyrrole-2,5-diyl)bis(methylene)]bis[4-(3-hydroxypropyl)-3-methyl-
Database identifiers
- CAS
149365-62-8- PubChem CID
- 11237009
- DTXSID
DTXSID00459675- Nikkaji
- J766.639J
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 14
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 610
Related reactions
5 records
Linked notes
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