6MJ

methyl beta-D-xylopyranoside

Created:	2016-05-09
Last modified:	2020-07-17

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2 entries where 6MJ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	23
Chiral Atom Count	4
Bond Count	23
Aromatic Bond Count	0

2D diagram of 6MJ

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Chemical Component Summary
Name	methyl beta-D-xylopyranoside
Synonyms	methyl beta-D-xyloside; methyl D-xyloside; methyl xyloside
Systematic Name (OpenEye OEToolkits)	(2~{R},3~{R},4~{S},5~{R})-2-methoxyoxane-3,4,5-triol
Formula	C₆ H₁₂ O₅
Molecular Weight	164.156
Type	D-SACCHARIDE

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	COC1OCC(C(C1O)O)O
SMILES	CACTVS	3.385	CO[CH]1OC[CH](O)[CH](O)[CH]1O
SMILES	OpenEye OEToolkits	2.0.4	COC1C(C(C(CO1)O)O)O
Canonical SMILES	CACTVS	3.385	CO[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O
Canonical SMILES	OpenEye OEToolkits	2.0.4	CO[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O
InChI	InChI	1.03	InChI=1S/C6H12O5/c1-10-6-5(9)4(8)3(7)2-11-6/h3-9H,2H2,1H3/t3-,4+,5-,6-/m1/s1
InChIKey	InChI	1.03	ZBDGHWFPLXXWRD-JGWLITMVSA-N

Related Resource References

Resource Name	Reference
PubChem	11768891
ChEBI	CHEBI:74863
CCDC/CSD	XYLOBM02, XYLOBM01, XYLOBM

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