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TVY

Summary
Name:(1S)-2-amino-1-phenylethyl alpha-D-mannopyranoside
Formula:C14 H21 N O6
Formal charge:0
Formula weight:299.32 Da
Component type:D-saccharide

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(1S)-2-amino-1-phenylethyl alpha-D-mannopyranoside
OpenEye OEToolkits2.0.7(2~{S},3~{S},4~{S},5~{S},6~{R})-2-[(1~{S})-2-azanyl-1-phenyl-ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1cccc(c1)C(OC2C(O)C(C(C(O2)CO)O)O)CN
InChIInChI1.03InChI=1S/C14H21NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,6-7,15H2/t9-,10-,11-,12+,13+,14+/m1/s1
InChIKeyInChI1.03TUDGLRPNTITXOM-TVQXOTEMSA-N
SMILES_CANONICALCACTVS3.385NC[C@@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)c2ccccc2
SMILESCACTVS3.385NC[CH](O[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)c2ccccc2
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(cc1)[C@@H](CN)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)C(CN)OC2C(C(C(C(O2)CO)O)O)O

227344

数据于2024-11-13公开中

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