73E

(1S)-1,5-anhydro-1-[3-(4-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]-D-glucitol

Created:	2016-08-19
Last modified:	2020-07-17

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1 entries where 73E is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	39
Chiral Atom Count	5
Bond Count	41
Aromatic Bond Count	11

2D diagram of 73E

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Chemical Component Summary
Name	(1S)-1,5-anhydro-1-[3-(4-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]-D-glucitol
Synonyms	(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(5-phenyl-4~{H}-1,2,4-triazol-3-yl)oxane-3,4,5-triol
Systematic Name (OpenEye OEToolkits)	(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(5-phenyl-4~{H}-1,2,4-triazol-3-yl)oxane-3,4,5-triol
Formula	C₁₄ H₁₇ N₃ O₅
Molecular Weight	307.302
Type	D-SACCHARIDE

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2[nH]c(nn2)c3ccccc3
SMILES	OpenEye OEToolkits	2.0.5	c1ccc(cc1)c2[nH]c(nn2)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(nn2)c3ccccc3
Canonical SMILES	OpenEye OEToolkits	2.0.5	c1ccc(cc1)c2[nH]c(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI	InChI	1.03	InChI=1S/C14H17N3O5/c18-6-8-9(19)10(20)11(21)12(22-8)14-15-13(16-17-14)7-4-2-1-3-5-7/h1-5,8-12,18-21H,6H2,(H,15,16,17)/t8-,9-,10+,11-,12-/m1/s1
InChIKey	InChI	1.03	GTQQOMHOHKJYAX-RMPHRYRLSA-N

Related Resource References

Resource Name	Reference
PubChem	73346013
ChEMBL	CHEMBL2408224

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