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RAB

Summary
Name:2-(6-AMINO-PURIN-9-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL
Synonyms:9-BETA-D-ARABINOFURANOSYL-ADENINE
Formula:C10 H13 N5 O4
Formal charge:0
Formula weight:267.241 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.049-beta-D-arabinofuranosyl-9H-purin-6-amine
OpenEye OEToolkits1.5.0(2R,3S,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CO)N
SMILES_CANONICALCACTVS3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO)[C@@H](O)[C@@H]3O
SMILESCACTVS3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO)[CH](O)[CH]3O
SMILES_CANONICALOpenEye OEToolkits1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N
SMILESOpenEye OEToolkits1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)N
InChIInChI1.03InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7+,10-/m1/s1
InChIKeyInChI1.03OIRDTQYFTABQOQ-UHTZMRCNSA-N

220472

PDB entries from 2024-05-29

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