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Chlorophyllide A

CAT: 0926-FC165287-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-FC165287-02Size:100 mg
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CAS Number
14897-06-4
Smiles
[H+].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) [O-]) C) C (=O) OC) [O-]) C) C.[Mg+2]
Molecular Formula
C35H34MgN4O5
Molecular Weight
614.97 g/mol
Controlled
No

Chemical Information

Chlorophyllide a

important intermediate in the chlorophyll a biosynthetic pathway

CAS Number14897-06-4
PubChem CID439664
IUPAC Namemagnesium 3-[(3R,21S,22S)-16-ethenyl-11-ethyl-3-methoxycarbonyl-12,17,21,26-tetramethyl-4-oxo-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)-decaen-22-yl]propanoic acid
Molecular FormulaC35H34MgN4O5
Molecular Weight615.0
Topological Polar Surface Area107
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count45
Formal Charge0
Complexity1650
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)O)[C@H](C4=O)C(=O)OC)C)C.[Mg+2]
InChI
InChI=1S/C35H36N4O5.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;/h8,12-14,17,21,31H,1,9-11H2,2-7H3,(H3,36,37,38,39,40,41,42);/q;+2/p-2/t17-,21-,31+;/m0./s1
InChIKey
ANWUQYTXRXCEMZ-NYABAGMLSA-L
Chemical Structure
2D Structure
2D structure of Chlorophyllide a
CAS: 14897-06-4
CID: 439664
Formula: C35H34MgN4O5
MW: 615.0
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight615.0
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass614.2379619
Monoisotopic Mass614.2379619
Topological Polar Surface Area107 Ų
Heavy Atom Count45
Formal Charge0
Complexity1650
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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