Obsolete: T

T was replaced with DT
?

Summary

Name:THYMIDINE-5'-MONOPHOSPHATE
Formula:C10 H15 N2 O8 P
Formal charge:0
Molecular weight:322.208 Da
Component type:DNA LINKING

Chemical Identifiers

ProgramVersionName
ACDLabs10.045'-thymidylic acid
OpenEye OEToolkits1.5.0[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C1NC(=O)N(C=C1C)C2OC(C(O)C2)COP(=O)(O)O
InChIInChI1.02bInChI=1/C10H15N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1/f/h11,16-17H
InChIKeyInChI1.02bGYOZYWVXFNDGLU-IUUZYFMUDD
SMILES_CANONICALCACTVS3.341CC1=CN([C@H]2C[C@H](O)[C@@H](CO[P](O)(O)=O)O2)C(=O)NC1=O
SMILESCACTVS3.341CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)NC1=O
SMILES_CANONICALOpenEye OEToolkits1.5.0CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O
SMILESOpenEye OEToolkits1.5.0CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)O