Cuprate(3-), [(7S,8S)-3-carboxy-5-(carboxymethyl)-13-ethenyl-18-ethyl-17-formyl-7,8-dihydro-2,8,12-trimethyl-21H,23H-porphine-7-propanoato(5-)-kappaN21,kappaN22,kappaN23,kappaN24]-, tripotassium, (SP-4-2)-

HCID 175351

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Basic information

CAS: 72984-31-7
Standard SMILES: C=CC1=C(C)C2=NC1=CC1=NC(=C(CC)C1=C[O-])C=c1[n-]c(c(C(=O)[O-])c1C)=C(CC(=O)[O-])C1=NC(=C2)C(C)C1CCC(=O)[O-].[Cu+2].[K+].[K+].[K+]
InChIKey: UVVWIYVATLQAFM-UHFFFAOYSA-I
Molecular formula: C34H29CuK3N4O7
Average molar mass: 786.5 g/mol
Monoisotopic mass: 785.024341

Overview

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Names & identifiers

Preferred name: Cuprate(3-), [(7S,8S)-3-carboxy-5-(carboxymethyl)-13-ethenyl-18-ethyl-17-formyl-7,8-dihydro-2,8,12-trimethyl-21H,23H-porphine-7-propanoato(5-)-kappaN21,kappaN22,kappaN23,kappaN24]-, tripotassium, (SP-4-2)-
IUPAC: copper;tripotassium;18-(2-carboxylatoethyl)-20-(carboxylatomethyl)-12-ethenyl-7-ethyl-3,13,17-trimethyl-8-(oxidomethylidene)-17,18-dihydroporphyrin-21-ide-2-carboxylate

Names & synonyms

72984-31-7DTXSID80993744UVVWIYVATLQAFM-UHFFFAOYSA-ICopper(2+) potassium 2-(2-carboxylatoethyl)-20-(carboxylatomethyl)-8-ethenyl-13-ethyl-3,7,17-trimethyl-12-(oxidomethylidene)-3,12-dihydro-2H-porphin-22-ide-18-carboxylate (1/3/1)Cuprate(3-), [(7S,8S)-3-carboxy-5-(carboxymethyl)-13-ethenyl-18-ethyl-17-formyl-7,8-dihydro-2,8,12-trimethyl-21H,23H-porphine-7-propanoato(5-)-.kappa.N21,.kappa.N22,.kappa.N23,.kappa.N24]-, tripotassium, (SP-4-2)-

Database identifiers

CAS: 72984-31-7
PubChem CID: 175351
DTXSID: DTXSID80993744
EC Number: 277-164-7

Properties

Computed structural properties

Topological polar surface area: 182 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 11
Rotatable bonds: 5
Heavy atoms: 49
Formal charge: 0
Complexity: 1,800

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