Analyte Name

N6-(2-Aminoethyl)-FAD

CAS Number

167962-39-2

Molecular Formula

C29 H38 N10 O15 P2

Molecular Weight

828.617

Accurate Mass

828.199

SMILES

Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@@H](O)COP(=O)(O)OP(=O)(O)OC[C@@H]4O[C@H](C(O)C4O)n5cnc6c(NCCN)ncnc56)c2cc1C

InChI

InChI=1S/C29H38N10O15P2/c1-12-5-14-15(6-13(12)2)38(26-20(35-14)27(45)37-29(46)36-26)7-16(40)21(42)17(41)8-51-55(47,48)54-56(49,50)52-9-18-22(43)23(44)28(53-18)39-11-34-19-24(31-4-3-30)32-10-33-25(19)39/h5-6,10-11,16-18,21-23,28,40-44H,3-4,7-9,30H2,1-2H3,(H,47,48)(H,49,50)(H,31,32,33)(H,37,45,46)/t16-,17-,18-,21-,22?,23?,28+/m0/s1

IUPAC

[[(2S,5R)-5-[6-(2-aminoethylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2S,3S,4S)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] hydrogen phosphate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat