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Chlorophyll

CAT: 0127-IN11677-01Size: 5 gDry Ice: NoHazardous: No
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CAS Number
1406-65-1
Synonyms
Magnesium;16-ethenyl-11-ethyl-3-methoxycarbonyl-12,17,21,26-tetramethyl-22-[3-oxo-3- (3,7,11,15-tetramethylhexadec-2-enoxy) propyl]-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-undecaen-4-olate
Purity
99%, oil soluble
Smiles
CCC1=C(C2=NC1=CC3=C(C4=C(C(C(=C4[N-]3)C5=NC(=CC6=NC(=C2)C(=C6C)C=C)C(C5CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C)C(=O)OC)[O-])C)C.[Mg+2]

Chemical Information

Chlorophyll

Chlorophyll is a porphyrin derivative conjugated with a magnesium ion that is found in plant chloroplasts, algae and cyanobacteria. Chlorophyll is essential to the process of photosynthesis. It absorbs light in the blue and red parts of the visible spectrum and transfers the absorbed photon energy to an electron, which is used to produce ATP.

CAS Number1406-65-1
PubChem CID156620228
IUPAC Namemagnesium methyl (3R,22S)-16-ethenyl-11-ethyl-4-hydroxy-12,17,21,26-tetramethyl-22-[3-oxo-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-23,25-diazonia-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),4,8(26),9,11,13(25),14,16,18,20-undecaene-3-carboxylate
Molecular FormulaC55H74MgN4O5+2
Molecular Weight895.5
Topological Polar Surface Area103
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count22
Heavy Atom Count65
Formal Charge2
Complexity2320
SMILES
CCC\1=C(C\2=[NH+]/C1=C\C3=C(C4=C([C@@H](C(=C4[N-]3)C5=[NH+]C(=C([C@@H]5CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)/C=C\6/C(=C(/C(=C2)/[N-]6)C=C)C)C(=O)OC)O)C)C.[Mg+2]
InChI
InChI=1S/C55H72N4O5.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42;/h13,26,28-33,41,51H,1,14-25,27H2,2-12H3,(H-2,56,57,58,59,61);/q-2;+2/p+2/b34-26+,42-28-;/t32-,33-,41+,51-;/m1./s1
InChIKey
KPJIJGZVAWIZMG-LEGXGVPYSA-P
Chemical Structure
2D Structure
2D structure of Chlorophyll
CAS: 1406-65-1
CID: 156620228
Formula: C55H74MgN4O5+2
MW: 895.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight895.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count22
Exact Mass894.5509632
Monoisotopic Mass894.5509632
Topological Polar Surface Area103 Ų
Heavy Atom Count65
Formal Charge2
Complexity2320
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count4
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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