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Chlorophyll c3

CAT: 0013-GTR19277711-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19277711-02Size:10 mg
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Description
Chlorophyll c3 is a natural product that can be used in life science research.
CAS Number
111308-93-1
Smiles
[H+].O=C ([O-]) C=CC=1C2=C3C4=C (C (=O) C3C (=O) OC) C (=C5C=C6C (C=C) =C (C (=O) OC) C=7C=C8C (C=C) =C (C9=CC (C1C) =[N]2[Mg+2] ([N]67) ([N-]89) [N-]54) C) C
Molecular Formula
C36H28MgN4O7
Molecular Weight
652.94
Notes
For research use only.

Chemical Information

Chlorophyll C3
CAS Number111308-93-1
PubChem CID71587417
IUPAC Namemagnesium (E)-3-[(3R)-11,16-bis(ethenyl)-3,12-bis(methoxycarbonyl)-17,21,26-trimethyl-4-oxido-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13,15(24),16,18,20(23),21-dodecaen-22-yl]prop-2-enoate
Molecular FormulaC36H28MgN4O7
Molecular Weight652.9
Topological Polar Surface Area165
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Heavy Atom Count48
Formal Charge0
Complexity2090
SMILES
CC1=C(C2=NC1=CC3=NC(=C4[C@H](C(=C5C4=NC(=C5C)C=C6C(=C(C(=C2)N6)C(=O)OC)C=C)[O-])C(=O)OC)C(=C3C)/C=C/C(=O)[O-])C=C.[Mg+2]
InChI
InChI=1S/C36H30N4O7.Mg/c1-8-18-15(3)21-12-22-16(4)20(10-11-27(41)42)32(39-22)30-31(36(45)47-7)34(43)28-17(5)23(40-33(28)30)13-25-19(9-2)29(35(44)46-6)26(38-25)14-24(18)37-21;/h8-14,31,38,43H,1-2H2,3-7H3,(H,41,42);/q;+2/p-2/b11-10+,21-12?,25-13?,26-14?,32-30?;/t31-;/m1./s1
InChIKey
CWLZENTWIZFJMW-XUGDHDJXSA-L
Chemical Structure
2D Structure
2D structure of Chlorophyll C3
CAS: 111308-93-1
CID: 71587417
Formula: C36H28MgN4O7
MW: 652.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight652.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Exact Mass652.1808409
Monoisotopic Mass652.1808409
Topological Polar Surface Area165 Ų
Heavy Atom Count48
Formal Charge0
Complexity2090
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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