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TCP

Summary
Name:5'-METHYLTHYMIDINE
Formula:C11 H16 N2 O5
Formal charge:0
Formula weight:256.255 Da
Component type:DNA LINKING

Chemical Identifiers

ProgramVersionName
ACDLabs10.045'-O-methylthymidine
OpenEye OEToolkits1.5.01-[(2R,4S,5R)-4-hydroxy-5-(methoxymethyl)oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C1NC(=O)N(C=C1C)C2OC(C(O)C2)COC
SMILES_CANONICALCACTVS3.341COC[C@H]1O[C@H](C[C@@H]1O)N2C=C(C)C(=O)NC2=O
SMILESCACTVS3.341COC[CH]1O[CH](C[CH]1O)N2C=C(C)C(=O)NC2=O
SMILES_CANONICALOpenEye OEToolkits1.5.0CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC)O
SMILESOpenEye OEToolkits1.5.0CC1=CN(C(=O)NC1=O)C2CC(C(O2)COC)O
InChIInChI1.03InChI=1S/C11H16N2O5/c1-6-4-13(11(16)12-10(6)15)9-3-7(14)8(18-9)5-17-2/h4,7-9,14H,3,5H2,1-2H3,(H,12,15,16)/t7-,8+,9+/m0/s1
InChIKeyInChI1.03KTCKNHCDUKONFQ-DJLDLDEBSA-N

226262

數據於2024-10-16公開中

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