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Chlorophyll c2

CAT: 0013-GTR19277710-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19277710-02Size:50 mg
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Description
Chlorophyll c2 is a natural product that can be used in life science research.
CAS Number
27736-03-4
Smiles
[H+].O=C ([O-]) C=CC=1C=2C3=C4C (C (=O) C3C (=O) OC) =C (C5=CC=6C (C=C) =C (C7=CC8=C (C=C) C (=C9C=C (C1C) [N]2[Mg+2] ([N]67) ([N-]89) [N-]54) C) C) C
Molecular Formula
C35H28MgN4O5
Molecular Weight
608.93
Notes
For research use only.

Chemical Information

Chlorophyllide C2
CAS Number27736-03-4
PubChem CID71587091
IUPAC Namemagnesium (E)-3-[(3R)-11,16-bis(ethenyl)-3-methoxycarbonyl-12,17,21,26-tetramethyl-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(25),14,16,18,20(23),21-dodecaen-22-yl]prop-2-enoate
Molecular FormulaC35H28MgN4O5
Molecular Weight608.9
Topological Polar Surface Area139
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count45
Formal Charge0
Complexity1970
SMILES
CC1=C(C2=CC3=NC(=CC4=C(C5=C([C@@H](C(=C6C(=C(C(=N6)C=C1N2)C)/C=C/C(=O)[O-])C5=N4)C(=O)OC)[O-])C)C(=C3C)C=C)C=C.[Mg+2]
InChI
InChI=1S/C35H30N4O5.Mg/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22;/h8-14,31,36,42H,1-2H2,3-7H3,(H,40,41);/q;+2/p-2/b11-10+,22-12?,26-13?,27-14?,32-30?;/t31-;/m1./s1
InChIKey
IPKAHLPKWFFLPY-YGWZQURHSA-L
Chemical Structure
2D Structure
2D structure of Chlorophyllide C2
CAS: 27736-03-4
CID: 71587091
Formula: C35H28MgN4O5
MW: 608.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight608.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass608.1910117
Monoisotopic Mass608.1910117
Topological Polar Surface Area139 Ų
Heavy Atom Count45
Formal Charge0
Complexity1970
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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