4-amino-1-((2R,3R,4S,5R)-5-((((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)oxy)methyl)-3,4-dihydroxytetrahydrofuran-2-yl)-1,3,5-triazin-2(1H)-one

Analyte Name

4-amino-1-((2R,3R,4S,5R)-5-((((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)oxy)methyl)-3,4-dihydroxytetrahydrofuran-2-yl)-1,3,5-triazin-2(1H)-one

CAS Number

2415172-81-3

Molecular Formula

C13 H20 N4 O9

Molecular Weight

376.319

Accurate Mass

376.123

SMILES

NC1=NC(=O)N(C=N1)[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)[C@@H](O)[C@H]2O

InChI

InChI=1S/C13H20N4O9/c14-12-15-3-17(13(23)16-12)10-8(21)7(20)5(25-10)2-24-11-9(22)6(19)4(1-18)26-11/h3-11,18-22H,1-2H2,(H2,14,16,23)/t4-,5-,6-,7-,8-,9-,10-,11-/m1/s1

IUPAC

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

Country of Origin

CANADA

Product Format

Neat