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HA1

Summary
Name:9-(5,5-DIFLUORO-5-PHOSPHONOPENTYL)GUANINE
Formula:C10 H14 F2 N5 O4 P
Formal charge:0
Formula weight:337.22 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04[5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-1,1-difluoropentyl]phosphonic acid
OpenEye OEToolkits1.5.0[5-(2-amino-6-oxo-1H-purin-9-yl)-1,1-difluoro-pentyl]phosphonic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04FC(F)(P(=O)(O)O)CCCCn1c2N=C(NC(=O)c2nc1)N
SMILES_CANONICALCACTVS3.341NC1=Nc2n(CCCCC(F)(F)[P](O)(O)=O)cnc2C(=O)N1
SMILESCACTVS3.341NC1=Nc2n(CCCCC(F)(F)[P](O)(O)=O)cnc2C(=O)N1
SMILES_CANONICALOpenEye OEToolkits1.5.0c1nc2c(n1CCCCC(F)(F)P(=O)(O)O)N=C(NC2=O)N
SMILESOpenEye OEToolkits1.5.0c1nc2c(n1CCCCC(F)(F)P(=O)(O)O)N=C(NC2=O)N
InChIInChI1.03InChI=1S/C10H14F2N5O4P/c11-10(12,22(19,20)21)3-1-2-4-17-5-14-6-7(17)15-9(13)16-8(6)18/h5H,1-4H2,(H2,19,20,21)(H3,13,15,16,18)
InChIKeyInChI1.03JANQQPWTLXUSCD-UHFFFAOYSA-N

226262

PDB entries from 2024-10-16

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