Chlorophyll

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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 Number	1406-65-1
PubChem CID	156620228
IUPAC Name	magnesium 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 Formula	C55H74MgN4O5+2
Molecular Weight	895.5
Topological Polar Surface Area	103
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	22
Heavy Atom Count	65
Formal Charge	2
Complexity	2320

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

CAS: 1406-65-1

CID: 156620228

Formula: C55H74MgN4O5+2

MW: 895.5

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	895.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	22
Exact Mass	894.5509632
Monoisotopic Mass	894.5509632
Topological Polar Surface Area	103 Å²
Heavy Atom Count	65
Formal Charge	2
Complexity	2320
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	4
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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269496-01	Chlorophyll a
FC40105-01	Chlorophyll B
GTR19277711-01	Chlorophyll c3
GTR19272807-01	Divinyl chlorophyll a
CBA73603	Chlorophyll C2
HY-W127744R	Chlorophyll a (Standard)
sc-337628	Chlorophyll, oil soluble
OM625953	Chlorophyll Assay Kit
TRC-C379880-5MG	Chlorophyll a (Technical Grade)

Chlorophyll

Chemical Information

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