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A1ACZ

Summary
Name:8-chloroadenosine
Formula:C10 H12 Cl N5 O4
Formal charge:0
Formula weight:301.686 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.018-chloroadenosine
OpenEye OEToolkits2.0.7(2~{R},3~{R},4~{S},5~{R})-2-(6-azanyl-8-chloranyl-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Nc1ncnc2c1nc(Cl)n2C1OC(CO)C(O)C1O
InChIInChI1.06InChI=1S/C10H12ClN5O4/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,13,14)/t3-,5-,6-,9-/m1/s1
InChIKeyInChI1.06MHDPPLULTMGBSI-UUOKFMHZSA-N
SMILES_CANONICALCACTVS3.385Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(Cl)nc12
SMILESCACTVS3.385Nc1ncnc2n([CH]3O[CH](CO)[CH](O)[CH]3O)c(Cl)nc12
SMILES_CANONICALOpenEye OEToolkits2.0.7c1nc(c2c(n1)n(c(n2)Cl)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N
SMILESOpenEye OEToolkits2.0.7c1nc(c2c(n1)n(c(n2)Cl)C3C(C(C(O3)CO)O)O)N

246905

PDB entries from 2025-12-31

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