2ND

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Summary

Name:2'-DEOXYINOSINE
Formula:C10 H12 N4 O4
Formal charge:0
Molecular weight:252.227 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.042'-deoxyinosine
OpenEye OEToolkits1.5.09-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C1c2ncn(c2N=CN1)C3OC(C(O)C3)CO
SMILES_CANONICALCACTVS3.341OC[C@H]1O[C@H](C[C@@H]1O)n2cnc3C(=O)NC=Nc23
SMILESCACTVS3.341OC[CH]1O[CH](C[CH]1O)n2cnc3C(=O)NC=Nc23
SMILES_CANONICALOpenEye OEToolkits1.5.0c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO)O)N=CNC2=O
SMILESOpenEye OEToolkits1.5.0c1nc2c(n1C3CC(C(O3)CO)O)N=CNC2=O
InChIInChI1.03InChI=1S/C10H12N4O4/c15-2-6-5(16)1-7(18-6)14-4-13-8-9(14)11-3-12-10(8)17/h3-7,15-16H,1-2H2,(H,11,12,17)/t5-,6+,7+/m0/s1
InChIKeyInChI1.03VGONTNSXDCQUGY-RRKCRQDMSA-N
171916
PDB entries from 2020-12-02