Glycogen For Biochemistry

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CAS Number

9005-79-2

HS Code

39139090

Packaging Group

Chemical Information

Glycogen

Glycogen is a metabolite found in or produced by Escherichia coli (strain K12, MG1655).

CAS Number	9005-79-2
PubChem CID	439177
IUPAC Name	(2S,3R,4S,5S,6R)-2-[[(2R,3S,4R,5R,6R)-4,5-dihydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Formula	C24H42O21
Molecular Weight	666.6
XLogP	-8.5
Topological Polar Surface Area	348
Hydrogen Bond Donor Count	14
Hydrogen Bond Acceptor Count	21
Rotatable Bond Count	10
Heavy Atom Count	45
Formal Charge	0
Complexity	918

SMILES

C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O)CO)O)O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O

InChI

InChI=1S/C24H42O21/c25-1-5-9(28)11(30)16(35)22(41-5)39-4-8-20(45-23-17(36)12(31)10(29)6(2-26)42-23)14(33)18(37)24(43-8)44-19-7(3-27)40-21(38)15(34)13(19)32/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23-,24-/m1/s1

InChIKey

BYSGBSNPRWKUQH-UJDJLXLFSA-N

Chemical Structure

2D Structure

CAS: 9005-79-2

CID: 439177

Formula: C24H42O21

MW: 666.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	666.6
XLogP3	-8.5
Hydrogen Bond Donor Count	14
Hydrogen Bond Acceptor Count	21
Rotatable Bond Count	10
Exact Mass	666.22185834
Monoisotopic Mass	666.22185834
Topological Polar Surface Area	348 Å²
Heavy Atom Count	45
Formal Charge	0
Complexity	918
Isotope Atom Count	0
Defined Atom Stereocenter Count	20
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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