P

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Summary

Name:2'-DEOXY-N1,N2-PROPANO GUANOSINE MONOPHOSPHATE
Formula:C13 H18 N5 O7 P
Formal charge:0
Molecular weight:387.285 Da
Component type:DNA LINKING

Chemical Identifiers

ProgramVersionName
ACDLabs10.043-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-5,6,7,8-tetrahydropyrimido[1,2-a]purin-10(3H)-one
OpenEye OEToolkits1.5.0[(2R,3S,5R)-3-hydroxy-5-(10-oxo-5,6,7,8-tetrahydropyrimido[1,2-a]purin-3-yl)oxolan-2-yl]methyl dihydrogen phosphate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C2c3ncn(c3N=C1NCCCN12)C4OC(C(O)C4)COP(=O)(O)O
SMILES_CANONICALCACTVS3.341O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O)n2cnc3C(=O)N4CCCNC4=Nc23
SMILESCACTVS3.341O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)n2cnc3C(=O)N4CCCNC4=Nc23
SMILES_CANONICALOpenEye OEToolkits1.5.0c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C4NCCCN4C2=O
SMILESOpenEye OEToolkits1.5.0c1nc2c(n1C3CC(C(O3)COP(=O)(O)O)O)N=C4NCCCN4C2=O
InChIInChI1.03InChI=1S/C13H18N5O7P/c19-7-4-9(25-8(7)5-24-26(21,22)23)18-6-15-10-11(18)16-13-14-2-1-3-17(13)12(10)20/h6-9,19H,1-5H2,(H,14,16)(H2,21,22,23)/t7-,8+,9+/m0/s1
InChIKeyInChI1.03KFIWNSGDRAITKG-DJLDLDEBSA-N
167132
PDB entries from 2020-07-29