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GI1

Summary
Name:METHOXYCARBONYL-SUBSTITUTED GLUCOIMIDAZOLE
Formula:C10 H17 N2 O6
Formal charge:1
Formula weight:261.252 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(5R,6R,7S,8S)-6,7,8-trihydroxy-2-[(S)-hydroxy(methoxy)methyl]-5-(hydroxymethyl)-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]pyridin-4-ium
OpenEye OEToolkits1.5.0(5R,6R,7S,8S)-2-[(S)-hydroxy-methoxy-methyl]-5-(hydroxymethyl)-5,6,7,8-tetrahydro-1H-imidazo[2,1-f]pyridin-4-ium-6,7,8-triol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04OC(OC)c1c[n+]2c(n1)C(O)C(O)C(O)C2CO
SMILES_CANONICALCACTVS3.341CO[C@H](O)c1[nH]c2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)[n+]2c1
SMILESCACTVS3.341CO[CH](O)c1[nH]c2[CH](O)[CH](O)[CH](O)[CH](CO)[n+]2c1
SMILES_CANONICALOpenEye OEToolkits1.5.0CO[C@@H](c1c[n+]2c([nH]1)[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O)O
SMILESOpenEye OEToolkits1.5.0COC(c1c[n+]2c([nH]1)C(C(C(C2CO)O)O)O)O
InChIInChI1.03InChI=1S/C10H16N2O6/c1-18-10(17)4-2-12-5(3-13)6(14)7(15)8(16)9(12)11-4/h2,5-8,10,13-17H,3H2,1H3/p+1/t5-,6-,7+,8-,10+/m1/s1
InChIKeyInChI1.03FURNYGCGTCIRPM-GBMPTNJUSA-O

222415

数据于2024-07-10公开中

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