Ferric oxochlorin
Basic information
- CAS
117828-52-1- Standard SMILES
CC1=C(CCC(=O)[O-])C2=CC3=NC(=CC4=C([O-])C(C)(C)C(=N4)C=c4[n-]c(c(C)c4C)=CC1=N2)C(C)=C3CCC(=O)[O-].[Fe+3].[H+]- InChIKey
UOLSFSCUPLGSPR-UHFFFAOYSA-K- Molecular formula
- C32H31FeN4O5
- Average molar mass
- 607.5 g/mol
- Monoisotopic mass
- 607.164381
Overview
RN & structure given in first source
Names & identifiers
- Preferred name
- Ferric oxochlorin
- IUPAC
- 3-[18-(2-carboxylatoethyl)-3,8,8,12,13,17-hexamethyl-7-oxidoporphyrin-23-id-2-yl]propanoate;hydron;iron(3+)
Names & synonyms
Ferric oxochlorinIron(III) oxochlorin117828-52-1RefChem:140273
Database identifiers
- CAS
117828-52-1- PubChem CID
- 195239
- DTXSID
DTXSID60922552
Properties
Computed structural properties
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,650
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Related reactions
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Compound notes
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