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9O4

Summary
Name:(3R,5R)-5-(6-amino-9H-purin-9-yl)oxolan-3-yl dihydrogen phosphate
Formula:C9 H12 N5 O5 P
Formal charge:0
Formula weight:301.196 Da
Component type:DNA linking

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(3R,5R)-5-(6-amino-9H-purin-9-yl)oxolan-3-yl dihydrogen phosphate
OpenEye OEToolkits2.0.6[(3~{R},5~{R})-5-(6-aminopurin-9-yl)oxolan-3-yl] dihydrogen phosphate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c3nc1c(ncn1C2CC(OP(O)(=O)O)CO2)c(N)n3
InChIInChI1.03InChI=1S/C9H12N5O5P/c10-8-7-9(12-3-11-8)14(4-13-7)6-1-5(2-18-6)19-20(15,16)17/h3-6H,1-2H2,(H2,10,11,12)(H2,15,16,17)/t5-,6-/m1/s1
InChIKeyInChI1.03SRZMSIWIQAVZRP-PHDIDXHHSA-N
SMILES_CANONICALCACTVS3.385Nc1ncnc2n(cnc12)[C@H]3C[C@H](CO3)O[P](O)(O)=O
SMILESCACTVS3.385Nc1ncnc2n(cnc12)[CH]3C[CH](CO3)O[P](O)(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.6c1nc(c2c(n1)n(cn2)[C@H]3C[C@H](CO3)OP(=O)(O)O)N
SMILESOpenEye OEToolkits2.0.6c1nc(c2c(n1)n(cn2)C3CC(CO3)OP(=O)(O)O)N

225158

PDB entries from 2024-09-18

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