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Chlorophyllin copper sodium

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  • Name Chlorophyllin copper sodium
  • EINECS234-242-5
  • CAS No. 11006-34-1
  • DensityN/A
  • PSA136.27000
  • LogP-0.70870
  • SolubilitySoluble in water.
  • Melting PointN/A
  • FormulaC34H31CuN4Na3O6
  • Boiling Point801.6 °C at 760 mmHg
  • Molecular Weight724.16
  • Flash Point438.6 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety22-24/25
  • Risk Codes62
  • Molecular Structure
    Molecular Structure of 11006-34-1 (Chlorophyllin)
  • Hazard SymbolsN/A
  • SynonymsN/A

Chlorophyllin copper sodium Synthetic route

11006-34-1

chlorophyllin coppered trisodium salt

copper(II) perchlorate

4C34H31CuN4O6(3-)*12Na(1+)*Cu(2+)*2ClO4(1-)

Conditions
ConditionsYield
In water at 25℃;

Chlorophyllin copper sodium Specification

The CAS register number of Chlorophyl Cu complex is 11006-34-1. It also can be called as Trisodium (2S-trans)-[18-carboxy-20-(carboxymethyl)-13-ethyl-2,3-dihydro-3,7,12,17-tetramethyl-8-vinyl-21H,23H-porphine-2-propionato(5-)-N21,N22,N23,N24]cuprate(3-) and the IUPAC name about this chemical is copper trisodium 3-[18-(dioxidomethylidene)-8-ethenyl-13-ethyl-3,7,12,17-tetramethyl-20-(2-oxido-2-oxoethyl)-2,3-dihydroporphyrin-23-id-2-yl]propanoate. The molecular formula about this chemical is C34H31CuN4Na3O6 and the molecular weight is 724.16. It belongs to the Organometallics. This chemical is harmful if swallowed. When you are using it, please avoid contact with skin and eyes and do not breathe dust.

Physical properties about Chlorophyl Cu complex are: (1)ACD/LogP: 2.17; (2)# of Rule of 5 Violations: 3; (3)#H bond acceptors: 10; (4)#H bond donors: 5; (5)#Freely Rotating Bonds: 9; (6)Polar Surface Area: 164.17Å2; (7)Flash Point: 438.6 °C; (8)Enthalpy of Vaporization: 132.75 kJ/mol; (9)Boiling Point: 801.6 °C at 760 mmHg; (10)Vapour Pressure: 1.01E-29 mmHg at 25°C.

The Chlorophyl Cu complex is the substance responsible for the green color in plants that accomplishes photosynthesis. It has been used traditionally to improve bad breath, as well as to reduce the odors of urine, feces, and infected wounds. This chemical has anti-inflammatory, antioxidant, and wound-healing properties. However, it is one of the most important chelates in nature. It is capable of channelling the energy of sunlight into chemical energy through the process of photosynthesis. In photosynthesis, the energy absorbed by chlorophyll transforms carbon dioxide and water into carbohydrates and oxygen. This chemical is vital for photosynthesis by destarching a variegated plant's leaves and exposing it to light for several hours.

You can still convert the following datas into molecular structure:
(1)SMILES: [Cu+2].[Na+].[Na+].[Na+].[O-]C(=O)CCC5C=2\N=C(\C=C1/[N-]/C(/C(\C=C)=C1C)=C\C\4=N\C(=C/C=3/N=C(/C=2CC([O-])=O)\C(=C(\[O-])[O-])/C=3C)/C(=C/4C)CC)C5C
(2)InChI: InChI=1/C34H36N4O6.Cu.3Na/c1-7-19-15(3)23-12-25-17(5)21(9-10-29(39)40)32(37-25)22(11-30(41)42)33-31(34(43)44)18(6)26(38-33)14-28-20(8-2)16(4)24(36-28)13-27(19)35-23;;;;/h7,12-14,17,21H,1,8-11H2,2-6H3,(H5,35,36,37,38,39,40,41,42,43,44);;;;/q;+2;3*+1/p-5
(3)InChIKey: HWDGVJUIHRPKFR-AACRGIKGAZ
(4)Std. InChI: InChI=1S/C34H36N4O6.Cu.3Na/c1-7-19-15(3)23-12-25-17(5)21(9-10-29(39)40)32(37-25)22(11-30(41)42)33-31(34(43)44)18(6)26(38-33)14-28-20(8-2)16(4)24(36-28)13-27(19)35-23;;;;/h7,12-14,17,21H,1,8-11H2,2-6H3,(H5,35,36,37,38,39,40,41,42,43,44);;;;/q;+2;3*+1/p-5
(5)Std. InChIKey: HWDGVJUIHRPKFR-UHFFFAOYSA-I

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 190mg/kg (190mg/kg)   Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 43, Pg. 722, 1954.
mouse LD50 oral 7gm/kg (7000mg/kg)   Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 43, Pg. 722, 1954.

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