Chlorophyll a

CAT: 0926-FC41661-02Size: 2 mgDry Ice: NoHazardous: No

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CAT#:0926-FC41661-02Size:2 mg

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CAS Number

479-61-8

MDL Number

MFCD00079050

Smiles

CCC1=C (C2=NC1=CC3=C (C4=C ([N-]3) C (=C5[C@H] ([C@@H] (C (=N5) C=C6C (=C (C (=C2) [N-]6) C=C) C) C) CCC (=O) OC/C=C (\C) /CCC[C@H] (C) CCC[C@H] (C) CCCC (C) C) [C@H] (C4=O) C (=O) OC) C) C.[Mg+2]

Molecular Formula

C55H72MgN4O5

Molecular Weight

893.49 g/mol

Controlled

Chemical Information

Chlorophyll A

A form of chlorophyll that absorbs light in the violet to red spectrum (approximately 400-700 nm wavelength range) and reflects green light (500-570 nm wavelength), which imparts the characteristic green color to land plants. It is essential for oxygenic PHOTOSYNTHESIS.

CAS Number	479-61-8
PubChem CID	12085802
IUPAC Name	magnesium methyl (3R,21S,22S)-16-ethenyl-11-ethyl-12,17,21,26-tetramethyl-4-oxo-22-[3-oxo-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23)-decaene-3-carboxylate
Molecular Formula	C55H72MgN4O5
Molecular Weight	893.5
Topological Polar Surface Area	96.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	22
Heavy Atom Count	65
Formal Charge	0
Complexity	2130

SMILES

CCC1=C(C2=NC1=CC3=C(C4=C([N-]3)C(=C5[C@H]([C@@H](C(=N5)C=C6C(=C(C(=C2)[N-]6)C=C)C)C)CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@H](C4=O)C(=O)OC)C)C.[Mg+2]

InChI

InChI=1S/C55H73N4O5.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;/h13,26,28-33,37,41,51H,1,14-25,27H2,2-12H3,(H-,56,57,58,59,61);/q-1;+2/p-1/b34-26+;/t32-,33-,37+,41+,51-;/m1./s1

InChIKey

ATNHDLDRLWWWCB-AENOIHSZSA-M

Chemical Structure

2D Structure

CAS: 479-61-8

CID: 12085802

Formula: C55H72MgN4O5

MW: 893.5

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	893.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	22
Exact Mass	892.5353131
Monoisotopic Mass	892.5353131
Topological Polar Surface Area	96.4 Å²
Heavy Atom Count	65
Formal Charge	0
Complexity	2130
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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Chlorophyll a

Chemical Information

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