Basic information
- CAS
79408-05-2- Standard SMILES
CCC1=C(C)c2cc3[n-]c(cc4[nH]c(cc5[n-]c(c(C)c5CC)c(=O)c1n2)c(C)c4CCC(=O)[O-])c(CCC(=O)[O-])c3C.[Fe+2].[H+].[H+].c1ccncc1.c1ccncc1- InChIKey
IPVPQBMCSMWROC-XUAKKJKFSA-L- Molecular formula
- C44H46FeN6O5
- Average molar mass
- 794.7 g/mol
- Monoisotopic mass
- 794.287904
Names & identifiers
- Preferred name
- Hydroxymesoheme
- IUPAC
- 3-[18-(2-carboxylatoethyl)-7,12-diethyl-3,8,13,17-tetramethyl-10-oxo-21H-porphyrin-22,24-diid-2-yl]propanoate;hydron;iron(2+);bis(pyridine)
- English name
- hydroxymesoheme
- Molecular formula
- C44H46FeN6O5
- Molecular weight
- 794.71824
Names & synonyms
HydroxymesohemeHydroxymesoporphyrin IX79408-05-2Ferrate(2-), (7,12-diethyl-10-hydroxy-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(4-)-N21,N22,N23,N24)bis(pyridine)-, dihydrogen, (OC-6-23)-
Database identifiers
- CAS
79408-05-2- PubChem CID
- 129010941
Properties
Computed structural properties
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 6
- Heavy atoms
- 56
- Formal charge
- 0
- Complexity
- 1,580
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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