Analyte Name

5-Azacytosine Dipentose

CAS Number

2306050-23-5

Molecular Formula

C13 H20 N4 O9

Molecular Weight

376.319

Accurate Mass

376.123

SMILES

OC[C@H]1O[C@@H](NC2=NC(=O)N(C=N2)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)[C@H](O)[C@@H]1O

InChI

InChI=1S/C13H20N4O9/c18-1-4-6(20)8(22)10(25-4)15-12-14-3-17(13(24)16-12)11-9(23)7(21)5(2-19)26-11/h3-11,18-23H,1-2H2,(H,15,16,24)/t4-,5-,6-,7-,8-,9-,10-,11-/m1/s1

IUPAC

1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]-1,3,5-triazin-2-one

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat