Cuprate(2-), ((3S,4S,21R)-21-carboxy-9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoato(4-)-kappaN23,kappaN24,kappaN25,kappaN26)-, dipotassium, (SP-4-2)-

HCID 175352

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Basic information

CAS: 72984-32-8
Standard SMILES: C=CC1=C(C)C2=NC1=CC1=NC(=Cc3[n-]c4c(c3C)=C([O-])C(C(=O)[O-])C=4C3=NC(=C2)C(C)C3CCC(=O)[O-])C(CC)=C1C.[Cu+2].[K+].[K+]
InChIKey: OWPZVZBRJWPUFS-UHFFFAOYSA-J
Molecular formula: C34H30CuK2N4O5
Average molar mass: 716.4 g/mol
Monoisotopic mass: 715.07863

Names & identifiers

Preferred name: Cuprate(2-), ((3S,4S,21R)-21-carboxy-9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoato(4-)-kappaN23,kappaN24,kappaN25,kappaN26)-, dipotassium, (SP-4-2)-
IUPAC: copper;dipotassium;22-(2-carboxylatoethyl)-16-ethenyl-11-ethyl-12,17,21,26-tetramethyl-4-oxido-23,24,25-triaza-7-azanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),4,8(26),9,11,13(25),14,16,18(24),19-undecaene-3-carboxylate

Names & synonyms

72984-32-8EINECS 277-165-2Cuprate(2-), ((3S,4S,21R)-21-carboxy-9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoato(4-)-kappaN23,kappaN24,kappaN25,kappaN26)-, dipotassium, (SP-4-2)-DTXSID40993745OWPZVZBRJWPUFS-UHFFFAOYSA-JCuprate(2-), ((3S,4S,21R)-21-carboxy-9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoato(4-)-kappaN23,kappaN24,kappaN25,kappaN26)-, potassium (1:2), (SP-4-2)-Cuprate(2-), [(3S,4S,21R)-21-carboxy-9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoato(4-)-.kappa.N23,.kappa.N24,.kappa.N25,.kappa.N26]-, dipotassium, (SP-4-2)-Copper(2+) potassium 3-(2-carboxylatoethyl)-9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-23,25-didehydrophorbine-24,25-diide-21-carboxylate (1/2/1)Dipotassium (3S-(3alpha,4beta,21beta))-(21-carboxy-14-ethyl-4,8,13,18-tetramethyl-20-oxo-9-vinylphorbine-3-propionato(4-)-N23,N24,N25,N26)cuprate(2-)

Database identifiers

CAS: 72984-32-8
PubChem CID: 175352

Properties

Computed structural properties

Topological polar surface area: 141 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 9
Rotatable bonds: 4
Heavy atoms: 46
Formal charge: 0
Complexity: 1,790

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationCuprate(2-), [(3S,4S,21R)-21-carboxy-9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoato(4-)-.kappa.N23,.kappa.N24,.kappa.N25,.kappa.N26]-, potassium (1:2), (SP-4-2)-: INACTIVE

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Compound notes

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