ZINC;3-[18-(2-carboxylatoethyl)-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoate;hydron
Basic information
- CAS
13939-11-2- Standard SMILES
CC1=C(C(C)O)c2cc3nc(cc4[n-]c(cc5[n-]c(cc1n2)c(C)c5CCC(=O)[O-])c(CCC(=O)[O-])c4C)C(C(C)O)=C3C.[H+].[H+].[Zn+2]- InChIKey
IFCVUNYQIFCACE-UHFFFAOYSA-L- Molecular formula
- C34H36N4O6Zn
- Average molar mass
- 662.1 g/mol
- Monoisotopic mass
- 660.192627
Names & identifiers
- Preferred name
- ZINC;3-[18-(2-carboxylatoethyl)-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoate;hydron
- IUPAC
- zinc;3-[18-(2-carboxylatoethyl)-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoate;hydron
Names & synonyms
Zinc hematoporphyrin13939-11-2NSC 2670873-[(1Z,4Z,10Z,14Z)-18-(2-carboxyethyl)-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethylporphyrin-21,22,23,24-tetraid-2-yl]propanoic acid;zinczinc;3-[18-(2-carboxylatoethyl)-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoate;hydronZincate(2-), (7,12-bis(1-hydroxyethyl)-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(4-)-N21,N22,N23,N24)-, dihydrogen, (SP-4-2)-
Database identifiers
- CAS
13939-11-2- PubChem CID
- 161004
Properties
Computed structural properties
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,010
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