Analyte Name

DAPP 2,5-Diamino-6-(5-phospho-D-ribitylamino)-pyrimidin-4(3H)-one

CAS Number

71491-00-4

Molecular Formula

C9 H18 N5 O8 P

Molecular Weight

355.242

Accurate Mass

355.089

SMILES

NC1=NC(=O)C(=C(NC[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)N1)N

InChI

InChI=1S/C9H18N5O8P/c10-5-7(13-9(11)14-8(5)18)12-1-3(15)6(17)4(16)2-22-23(19,20)21/h3-4,6,15-17H,1-2,10H2,(H2,19,20,21)(H4,11,12,13,14,18)/t3-,4+,6-/m0/s1

IUPAC

[(2R,3S,4S)-5-[(2,5-diamino-4-oxo-1H-pyrimidin-6-yl)amino]-2,3,4-trihydroxypentyl] dihydrogen phosphate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat