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HGT

Summary
Name:(2-((2R,3S,4R,5S,6S)-3-AMINO-4,5-DIHYDROXY-6-(HYDROXYMETHYL)TETRAHYDRO-2H-PYRAN-2-YLAMINO)ETHOXY)STANNANETRIOL
Formula:C8 H20 N2 O8 Sn
Formal charge:0
Formula weight:390.963 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.042-amino-2-deoxy-N-{2-[(trihydroxystannanyl)oxy]ethyl}-alpha-L-gulopyranosylamine
OpenEye OEToolkits1.5.0(2S,3S,4R,5S,6R)-5-amino-2-(hydroxymethyl)-6-(2-trihydroxystannyloxyethylamino)oxane-3,4-diol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O[Sn](O)(O)OCCNC1OC(C(O)C(O)C1N)CO
SMILES_CANONICALCACTVS3.341N[C@H]1[C@@H](O)[C@H](O)[C@H](CO)O[C@H]1NCCO[Sn](O)(O)O
SMILESCACTVS3.341N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1NCCO[Sn](O)(O)O
SMILES_CANONICALOpenEye OEToolkits1.5.0C(CO[Sn](O)(O)O)N[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)N
SMILESOpenEye OEToolkits1.5.0C(CO[Sn](O)(O)O)NC1C(C(C(C(O1)CO)O)O)N
InChIInChI1.03InChI=1S/C8H17N2O5.3H2O.Sn/c9-5-7(14)6(13)4(3-12)15-8(5)10-1-2-11;;;;/h4-8,10,12-14H,1-3,9H2;3*1H2;/q-1;;;;+4/p-3/t4-,5-,6+,7+,8+;;;;/m0..../s1
InChIKeyInChI1.03MAPJSMXDKVHPKF-JEQMFHPXSA-K

222415

數據於2024-07-10公開中

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