Cuprate(2-), [(3S,4S,21R)-21-carboxy-9-ethenyl-14-ethyl-13-formyl-4,8,18-trimethyl-20-oxo-3-phorbinepropanoato(4-)-kappaN23,kappaN24,kappaN25,kappaN26]-, sodium (1:2), (SP-4-2)-
Basic information
- CAS
73836-75-6- Standard SMILES
C=CC1=C(C)C2=NC1=CC1=NC(=C(CC)C1=C[O-])C=c1[n-]c3c(c1C)C(=O)C(C(=O)[O-])C=3C1=NC(=C2)C(C)C1CCC(=O)[O-].[Cu+2].[Na+].[Na+]- InChIKey
NQCLFUXEJVHWDY-UHFFFAOYSA-J- Molecular formula
- C34H28CuN4Na2O6
- Average molar mass
- 698.1 g/mol
- Monoisotopic mass
- 697.11002
Names & identifiers
- Preferred name
- Cuprate(2-), [(3S,4S,21R)-21-carboxy-9-ethenyl-14-ethyl-13-formyl-4,8,18-trimethyl-20-oxo-3-phorbinepropanoato(4-)-kappaN23,kappaN24,kappaN25,kappaN26]-, sodium (1:2), (SP-4-2)-
- IUPAC
- copper;disodium;22-(2-carboxylatoethyl)-16-ethenyl-11-ethyl-17,21,26-trimethyl-12-(oxidomethylidene)-4-oxo-23,24,25-triaza-7-azanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10,13(25),14,16,18(24),19-decaene-3-carboxylate
Names & synonyms
73836-75-6EINECS 277-621-0RefChem:128805Copper, (21-carboxy-9-ethenyl-14-ethyl-13-formyl-4,8,18-trimethyl-20-oxo-3-phorbinepropionato(2-)-), disodiumCuprate(2-), ((3S,4S,21R)-21-carboxy-9-ethenyl-14-ethyl-13-formyl-4,8,18-trimethyl-20-oxo-3-phorbinepropanoato(4-)-kappaN23,kappaN24,kappaN25,kappaN26)-, disodium, (SP-4-2)-Cuprate(2-), ((3S,4S,21R)-21-carboxy-9-ethenyl-14-ethyl-13-formyl-4,8,18-trimethyl-20-oxo-3-phorbinepropanoato(4-)-kappaN23,kappaN24,kappaN25,kappaN26)-, sodium (1:2), (SP-4-2)-Cuprate(2-), [(3S,4S,21R)-21-carboxy-9-ethenyl-14-ethyl-13-formyl-4,8,18-trimethyl-20-oxo-3-phorbinepropanoato(4-)-kappaN23,kappaN24,kappaN25,kappaN26]-, sodium (1:2), (SP-4-2)-Cuprate(2-), [(3S,4S,21R)-21-carboxy-9-ethenyl-14-ethyl-13-formyl-4,8,18-trimethyl-20-oxo-3-phorbinepropanoato(4-)-.kappa.N23,.kappa.N24,.kappa.N25,.kappa.N26]-, sodium (1:2), (SP-4-2)-DTXSID40994954NQCLFUXEJVHWDY-UHFFFAOYSA-JCopper(2+) sodium 3-(2-carboxylatoethyl)-9-ethenyl-14-ethyl-4,8,18-trimethyl-13-(oxidomethylidene)-20-oxo-23,25-didehydro-4,13,20,21-tetrahydro-3H-phorbin-25-ide-21-carboxylate (1/2/1)
Properties
Computed structural properties
- Topological polar surface area
- 158 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,840
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCuprate(2-), [(3S,4S,21R)-21-carboxy-9-ethenyl-14-ethyl-13-formyl-4,8,18-trimethyl-20-oxo-3-phorbinepropanoato(4-)-.kappa.N23,.kappa.N24,.kappa.N25,.kappa.N26]-, sodium (1:2), (SP-4-2)-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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