7NU

phenyl 6,7-anhydro-D-glycero-beta-D-galacto-heptopyranoside

Created:	2016-11-28
Last modified:	2020-07-17

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1 entries where 7NU is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	35
Chiral Atom Count	6
Bond Count	37
Aromatic Bond Count	6

2D diagram of 7NU

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Chemical Component Summary
Name	phenyl 6,7-anhydro-D-glycero-beta-D-galacto-heptopyranoside
Synonyms	Phenyl 6,7-dideoxy-6,7-epoxy-beta-D-galacto-heptopyranoside(6D); phenyl 6,7-anhydro-D-glycero-beta-D-galacto-heptoside; phenyl 6,7-anhydro-D-glycero-D-galacto-heptoside; phenyl 6,7-anhydro-D-glycero-galacto-heptoside
Systematic Name (OpenEye OEToolkits)	(2~{S},3~{R},4~{S},5~{R},6~{S})-2-[(2~{R})-oxiran-2-yl]-6-phenoxy-oxane-3,4,5-triol
Formula	C₁₃ H₁₆ O₆
Molecular Weight	268.263
Type	D-SACCHARIDE

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	O[CH]1[CH](O)[CH](O[CH]([CH]2CO2)[CH]1O)Oc3ccccc3
SMILES	OpenEye OEToolkits	2.0.6	c1ccc(cc1)OC2C(C(C(C(O2)C3CO3)O)O)O
Canonical SMILES	CACTVS	3.385	O[C@@H]1[C@@H](O)[C@@H](O[C@H]([C@H]2CO2)[C@@H]1O)Oc3ccccc3
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1ccc(cc1)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)[C@H]3CO3)O)O)O
InChI	InChI	1.03	InChI=1S/C13H16O6/c14-9-10(15)12(8-6-17-8)19-13(11(9)16)18-7-4-2-1-3-5-7/h1-5,8-16H,6H2/t8-,9+,10-,11-,12-,13-/m1/s1
InChIKey	InChI	1.03	BGULDTQQEDQGRU-LREJFELKSA-N

Related Resource References

Resource Name	Reference
PubChem	131704429

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