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0DN

Summary
Name:5'-deoxy-5'-fluorothymidine
Formula:C10 H13 F N2 O4
Formal charge:0
Formula weight:244.22 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.015'-deoxy-5'-fluorothymidine
OpenEye OEToolkits1.7.61-[(2R,4S,5S)-5-(fluoranylmethyl)-4-oxidanyl-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C1NC(=O)N(C=C1C)C2OC(C(O)C2)CF
InChIInChI1.03InChI=1S/C10H13FN2O4/c1-5-4-13(10(16)12-9(5)15)8-2-6(14)7(3-11)17-8/h4,6-8,14H,2-3H2,1H3,(H,12,15,16)/t6-,7+,8+/m0/s1
InChIKeyInChI1.03MYWVPKQWFIVGJZ-XLPZGREQSA-N
SMILES_CANONICALCACTVS3.370CC1=CN([C@H]2C[C@H](O)[C@@H](CF)O2)C(=O)NC1=O
SMILESCACTVS3.370CC1=CN([CH]2C[CH](O)[CH](CF)O2)C(=O)NC1=O
SMILES_CANONICALOpenEye OEToolkits1.7.6CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CF)O
SMILESOpenEye OEToolkits1.7.6CC1=CN(C(=O)NC1=O)C2CC(C(O2)CF)O

223532

PDB entries from 2024-08-07

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