4UO

?

Summary

Name:2,3-dihydroxanthosine
Synonyms:Xanthosine
Formula:C10 H12 N4 O6
Formal charge:0
Molecular weight:284.225 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012,3-dihydroxanthosine
OpenEye OEToolkits1.9.29-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3H-purine-2,6-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C1NC(=O)Nc2c1ncn2C3C(C(C(O3)CO)O)O
InChIInChI1.03InChI=1S/C10H12N4O6/c15-1-3-5(16)6(17)9(20-3)14-2-11-4-7(14)12-10(19)13-8(4)18/h2-3,5-6,9,15-17H,1H2,(H2,12,13,18,19)/t3-,5-,6-,9-/m1/s1
InChIKeyInChI1.03UBORTCNDUKBEOP-UUOKFMHZSA-N
SMILES_CANONICALCACTVS3.385OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3C(=O)NC(=O)Nc23
SMILESCACTVS3.385OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3C(=O)NC(=O)Nc23
SMILES_CANONICALOpenEye OEToolkits1.9.2c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)NC2=O
SMILESOpenEye OEToolkits1.9.2c1nc2c(n1C3C(C(C(O3)CO)O)O)NC(=O)NC2=O
170172
PDB entries from 2020-10-21