Xanthosine

• Xanthosine
• bmse000128 - data

InCHi String:
InChI=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

isomeric SMILES:
C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)NC2=O
canonical SMILES:
C1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC(=O)NC2=O


IUPAC: IUPAC systematic
9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-2,6-dione

IUPAC traditional
9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-3H-purine-2,6-quinone

IUPAC cas: IUPAC openeye
9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purine-2,6-dione



PubChem Substance (SID):   85164960   206897   4895
PubChem Compound (CID):   64959
KEGG: Compound ID   C01762
CAS Registry IDs:   146-80-5
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   CHEBI 18107   EINECS 205-679-9   NSC 18930