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EDU

Summary
Name:2'-deoxy-5-ethynyluridine
Formula:C11 H12 N2 O5
Formal charge:0
Formula weight:252.223 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012'-deoxy-5-ethynyluridine
OpenEye OEToolkits1.7.65-ethynyl-1-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]pyrimidine-2,4-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C1NC(=O)N(C=C1C#C)C2OC(C(O)C2)CO
InChIInChI1.03InChI=1S/C11H12N2O5/c1-2-6-4-13(11(17)12-10(6)16)9-3-7(15)8(5-14)18-9/h1,4,7-9,14-15H,3,5H2,(H,12,16,17)/t7-,8+,9+/m0/s1
InChIKeyInChI1.03CDEURGJCGCHYFH-DJLDLDEBSA-N
SMILES_CANONICALCACTVS3.385OC[C@H]1O[C@H](C[C@@H]1O)N2C=C(C#C)C(=O)NC2=O
SMILESCACTVS3.385OC[CH]1O[CH](C[CH]1O)N2C=C(C#C)C(=O)NC2=O
SMILES_CANONICALOpenEye OEToolkits1.7.6C#CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O
SMILESOpenEye OEToolkits1.7.6C#CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O

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건을2024-07-31부터공개중

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