Basic information
- CAS
28849-57-2- 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)=C1.[Cu+2].[Cu+2]- InChIKey
MVTQTIMMYUZWTL-UHFFFAOYSA-J- Molecular formula
- C33H28Cu2N4O5
- Average molar mass
- 687.7 g/mol
- Monoisotopic mass
- 686.065164
Names & identifiers
- Preferred name
- Copper chlorphyllin
- IUPAC
- dicopper;22-(2-carboxylatoethyl)-16-ethenyl-11-ethyl-17,21,26-trimethyl-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
- English name
- COPPERCHLORPHYLLIN
- Molecular formula
- C33H28Cu2N4O5
- Molecular weight
- 687.69122
Names & synonyms
28849-57-2Copper chlorphyllinDTXSID80951480Copper, (m-(21-Carboxy-9-ethenyl-14-ethyl-4,8,18-trimethyl-20-oxo-3-phorbinepropanoato(4-)-N21,N22,N23,N24:O20,O21))di-Dicopper(2+) 3-(2-carboxylatoethyl)-9-ethenyl-14-ethyl-4,8,18-trimethyl-20-oxo-23,25-didehydrophorbine-23,24-diide-21-carboxylateCOPPERCHLORPHYLLIN
Database identifiers
- CAS
28849-57-2- PubChem CID
- 185657
- DTXSID
DTXSID80951480
Properties
Computed structural properties
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,740
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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