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2DA

Summary
Name:2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATE
Formula:C10 H14 N5 O5 P
Formal charge:0
Formula weight:315.222 Da
Component type:DNA LINKING

Chemical Identifiers

ProgramVersionName
ACDLabs10.04[(2S,5R)-5-(6-amino-9H-purin-9-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
OpenEye OEToolkits1.5.0[(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)CC3
SMILES_CANONICALCACTVS3.341Nc1ncnc2n(cnc12)[C@H]3CC[C@@H](CO[P](O)(O)=O)O3
SMILESCACTVS3.341Nc1ncnc2n(cnc12)[CH]3CC[CH](CO[P](O)(O)=O)O3
SMILES_CANONICALOpenEye OEToolkits1.5.0c1nc(c2c(n1)n(cn2)[C@H]3CC[C@H](O3)COP(=O)(O)O)N
SMILESOpenEye OEToolkits1.5.0c1nc(c2c(n1)n(cn2)C3CCC(O3)COP(=O)(O)O)N
InChIInChI1.03InChI=1S/C10H14N5O5P/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(20-7)3-19-21(16,17)18/h4-7H,1-3H2,(H2,11,12,13)(H2,16,17,18)/t6-,7+/m0/s1
InChIKeyInChI1.03PUSXDQXVJDGIBK-NKWVEPMBSA-N

217705

PDB entries from 2024-03-27

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