Nickel(II) protoporphyrin IX
Basic information
- CAS
15415-30-2- Standard SMILES
C=CC1=C(C)c2cc3[n-]c(cc4[n-]c(cc5nc(cc1n2)C(C)=C5C=C)c(C)c4CCC(=O)[O-])c(CCC(=O)[O-])c3C.[H+].[H+].[Ni+2]- InChIKey
IJROJBFZULUEEG-UHFFFAOYSA-L- Molecular formula
- C34H32N4NiO4
- Average molar mass
- 619.3 g/mol
- Monoisotopic mass
- 618.177697
Names & identifiers
- Preferred name
- Nickel(II) protoporphyrin IX
- IUPAC
- 3-[18-(2-carboxylatoethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoate;hydron;nickel(2+)
Names & synonyms
NSC 267102Ni-PPIXNickel(II) protoporphyrin IXNi(II) Protoporphyrin IX15415-30-2Nickelate(2-), (7,12-diethenyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(4-)-N21,N22,N23,N24)-, dihydrogen, (SP-4-2)-
Database identifiers
- CAS
15415-30-2- PubChem CID
- 3082091
Properties
Computed structural properties
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 995
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