44A

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Summary

Name:9-beta-D-ribofuranuronosyl-9H-purin-6-amine
Formula:C10 H11 N5 O5
Formal charge:0
Molecular weight:281.225 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.019-(beta-D-ribofuranuronosyl)-9H-purin-6-amine
OpenEye OEToolkits1.7.0(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolane-2-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)C3OC(n2cnc1c(ncnc12)N)C(O)C3O
SMILES_CANONICALCACTVS3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(O)=O
SMILESCACTVS3.370Nc1ncnc2n(cnc12)[CH]3O[CH]([CH](O)[CH]3O)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)O)O)O)N
SMILESOpenEye OEToolkits1.7.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)C(=O)O)O)O)N
InChIInChI1.03InChI=1S/C10H11N5O5/c11-7-3-8(13-1-12-7)15(2-14-3)9-5(17)4(16)6(20-9)10(18)19/h1-2,4-6,9,16-17H,(H,18,19)(H2,11,12,13)/t4-,5+,6-,9+/m0/s1
InChIKeyInChI1.03IBYWUFHJUDTSOC-SOVPELCUSA-N
170172
PDB entries from 2020-10-21