6MY

(1S)-1,5-anhydro-1-(5-phenyl-1H-imidazol-2-yl)-D-glucitol

Created:	2016-05-10
Last modified:	2016-08-23

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1 entries where 6MY is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	40
Chiral Atom Count	5
Bond Count	42
Aromatic Bond Count	11

2D diagram of 6MY

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Chemical Component Summary
Name	(1S)-1,5-anhydro-1-(5-phenyl-1H-imidazol-2-yl)-D-glucitol
Systematic Name (OpenEye OEToolkits)	(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(5-phenyl-1~{H}-imidazol-2-yl)oxane-3,4,5-triol
Formula	C₁₅ H₁₈ N₂ O₅
Molecular Weight	306.314
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1(ccccc1)c3nc(C2OC(CO)C(O)C(C2O)O)nc3
SMILES	CACTVS	3.385	OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2[nH]c(cn2)c3ccccc3
SMILES	OpenEye OEToolkits	2.0.4	c1ccc(cc1)c2cnc([nH]2)C3C(C(C(C(O3)CO)O)O)O
Canonical SMILES	CACTVS	3.385	OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c2[nH]c(cn2)c3ccccc3
Canonical SMILES	OpenEye OEToolkits	2.0.4	c1ccc(cc1)c2cnc([nH]2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI	InChI	1.03	InChI=1S/C15H18N2O5/c18-7-10-11(19)12(20)13(21)14(22-10)15-16-6-9(17-15)8-4-2-1-3-5-8/h1-6,10-14,18-21H,7H2,(H,16,17)/t10-,11-,12+,13-,14-/m1/s1
InChIKey	InChI	1.03	QJGQTBOHSOZKLJ-RKQHYHRCSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL3770514
PubChem	71522432
ChEMBL	CHEMBL3770514

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