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)-, disodium, (SP-4-2)-
Basic information
- CAS
26061-35-8- 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].[Na+].[Na+]- InChIKey
YXMMAVURUUXKKN-UHFFFAOYSA-J- Molecular formula
- C34H30CuN4Na2O5
- Average molar mass
- 684.1 g/mol
- Monoisotopic mass
- 683.130756
Overview
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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)-, disodium, (SP-4-2)-
- IUPAC
- copper;disodium;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
Copper chlorophyll sodium26061-35-8EINECS 247-438-0Cuprate(2-), ((3S,4S,21R)-21-carboxy-9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoato(4-)-kappaN23,kappaN24,kappaN25,kappaN26)-, disodium, (SP-4-2)-YXMMAVURUUXKKN-UHFFFAOYSA-JDisodium (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
26061-35-8- PubChem CID
- 5488872
- EC Number
- 247-438-0
Properties
Computed structural properties
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,790
Related reactions
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Compound notes
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