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Summary

Name:	1-beta-D-glucopyranosyl-4-phenyl-1H-1,2,3-triazole
Synonyms:	1-beta-D-glucosyl-4-phenyl-1H-1,2,3-triazole 1-D-glucosyl-4-phenyl-1H-1,2,3-triazole; 1-glucosyl-4-phenyl-1H-1,2,3-triazole
Formula:	C14 H17 N3 O5
Formal charge:	0
Formula weight:	307.302 Da
Component type:	D-saccharide

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	1-beta-D-glucopyranosyl-4-phenyl-1H-1,2,3-triazole
OpenEye OEToolkits	1.5.0	(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(4-phenyl-1,2,3-triazol-1-yl)oxane-3,4,5-triol

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	n1nn(cc1c2ccccc2)C3OC(C(O)C(O)C3O)CO
SMILES_CANONICAL	CACTVS	3.341	OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)n2cc(nn2)c3ccccc3
SMILES	CACTVS	3.341	OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)n2cc(nn2)c3ccccc3
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	c1ccc(cc1)c2cn(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)c2cn(nn2)C3C(C(C(C(O3)CO)O)O)O
InChI	InChI	1.03	InChI=1S/C14H17N3O5/c18-7-10-11(19)12(20)13(21)14(22-10)17-6-9(15-16-17)8-4-2-1-3-5-8/h1-6,10-14,18-21H,7H2/t10-,11-,12+,13-,14-/m1/s1
InChIKey	InChI	1.03	SLCZDPXCZLKLKY-RKQHYHRCSA-N

224931

PDB entries from 2024-09-11

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