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R2G

Summary
Name:2,5-anhydro-4-deoxy-D-erythro-pent-4-enitol
Formula:C5 H8 O3
Formal charge:0
Formula weight:116.115 Da
Component type:L-saccharide

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7(2~{S},3~{R})-2-(hydroxymethyl)-2,3-dihydrofuran-3-ol

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C5H8O3/c6-3-5-4(7)1-2-8-5/h1-2,4-7H,3H2/t4-,5+/m1/s1
InChIKeyInChI1.03SGOSIWMWLVSBIC-UHNVWZDZSA-N
SMILES_CANONICALCACTVS3.385OC[C@@H]1OC=C[C@H]1O
SMILESCACTVS3.385OC[CH]1OC=C[CH]1O
SMILES_CANONICALOpenEye OEToolkits2.0.7C1=CO[C@H]([C@@H]1O)CO
SMILESOpenEye OEToolkits2.0.7C1=COC(C1O)CO

224931

数据于2024-09-11公开中

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