chempirical

Sodium copper chlorophyllin

C34H29CuN4Na3O7CAS 28302-36-5738.14 g/mol

Open in Covalent MOL file
N−NO−NOO−NOO−OO−Cu2+Na+Na+Na+
AlkeneCarboxylic acidImine

Properties

Molecular formula
C34H29CuN4Na3O7
Molar mass
738.14 g/mol
Exact mass
737.1025 Da
logP
-10.42Crippen estimate
Polar surface area
194.6 Ų
H-bond donors / acceptors
0 / 10
Rotatable bonds
8

Identifiers

CAS number
28302-36-5
SMILES
C=Cc1c(C)c2[n-]c1=CC1=NC(=C(CC)C1=C[O-])C=C1N=C(C(CC(=O)[O-])=C3N=C(C=2)C(C)C3CCC(=O)[O-])C(C(=O)[O-])=C1C.[Cu+2].[Na+].[Na+].[Na+]
InChIKey
KYLOFEQLMQEHBO-UHFFFAOYSA-I
InChI
InChI=1S/C34H34N4O7.Cu.3Na/c1-6-18-15(3)23-11-24-16(4)20(8-9-29(40)41)32(37-24)21(10-30(42)43)33-31(34(44)45)17(5)25(38-33)12-27-19(7-2)22(14-39)28(36-27)13-26(18)35-23;;;;/h6,11-14,16,20H,1,7-10H2,2-5H3,(H5,35,36,37,38,39,40,41,42,43,44,45);;;;/q;+2;3*+1/p-5

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • 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-)-κN21,κN22,κN23,κN24]-, sodium (1:3), (SP-4-2)-
  • Copper, [dihydrogen 21-carboxy-14-ethyl-13-formyl-4,8,18-trimethyl-20-oxo-9-vinyl-3-phorbinepropionato(2-)]-, trisodium salt
  • Rhodine g, copper deriv., trisodium salt
  • 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-)-κN21,κN22,κN23,κN24]-, trisodium, (SP-4-2)-
  • Chloron

Work with Sodium copper chlorophyllin

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Chlorophyll B519-62-047 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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