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Summary Geometry Related PDB entries

ZG9

Summary

Name:	[(2S)-1,4-dioxan-2-yl]methyl 2-acetamido-2-deoxy-6-O-methyl-beta-D-glucopyranoside
Formula:	C14 H25 N O8
Formal charge:	0
Formula weight:	335.35 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	[(2S)-1,4-dioxan-2-yl]methyl 2-acetamido-2-deoxy-6-O-methyl-beta-D-glucopyranoside
OpenEye OEToolkits	2.0.7	~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-2-[[(2~{S})-1,4-dioxan-2-yl]methoxy]-6-(methoxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]ethanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CC(=O)NC1C(O)C(O)C(COC)OC1OCC1COCCO1
InChI	InChI	1.06	InChI=1S/C14H25NO8/c1-8(16)15-11-13(18)12(17)10(7-19-2)23-14(11)22-6-9-5-20-3-4-21-9/h9-14,17-18H,3-7H2,1-2H3,(H,15,16)/t9-,10+,11+,12+,13+,14+/m0/s1
InChIKey	InChI	1.06	OSYFGNJAUIHPSL-YHBOFVJASA-N
SMILES_CANONICAL	CACTVS	3.385	COC[C@H]1O[C@@H](OC[C@@H]2COCCO2)[C@H](NC(C)=O)[C@@H](O)[C@@H]1O
SMILES	CACTVS	3.385	COC[CH]1O[CH](OC[CH]2COCCO2)[CH](NC(C)=O)[CH](O)[CH]1O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC[C@@H]2COCCO2)COC)O)O
SMILES	OpenEye OEToolkits	2.0.7	CC(=O)NC1C(C(C(OC1OCC2COCCO2)COC)O)O

222415

PDB entries from 2024-07-10

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