Analyte Name

((2R,4R,5S)-2-((((2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl)methoxy-hydroxyphosphoryl)oxy-hydroxyphosphoryl)oxy-5-hydroxy-6-(hydroxymethyl)-3-(((3R)-3-hydroxytetradecanoyl)amino)oxan-4-yl) (3R)-3-hydroxytetradecanoate

Molecular Formula

C43 H77 N3 O20 P2

Molecular Weight

1018.027

Accurate Mass

1017.458

SMILES

CCCCCCCCCCC[C@@H](O)CC(=O)NC1[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@H]([C@@H](O)C2O)N3C=CC(=O)NC3=O)OC(CO)[C@@H](O)[C@@H]1OC(=O)C[C@H](O)CCCCCCCCCCC

InChI

InChI=1S/C43H77N3O20P2/c1-3-5-7-9-11-13-15-17-19-21-29(48)25-34(51)44-36-40(64-35(52)26-30(49)22-20-18-16-14-12-10-8-6-4-2)38(54)31(27-47)63-42(36)65-68(59,60)66-67(57,58)61-28-32-37(53)39(55)41(62-32)46-24-23-33(50)45-43(46)56/h23-24,29-32,36-42,47-49,53-55H,3-22,25-28H2,1-2H3,(H,44,51)(H,57,58)(H,59,60)(H,45,50,56)/t29-,30-,31?,32-,36?,37?,38-,39+,40-,41-,42-/m1/s1

IUPAC

[(2R,4R,5S)-2-[[[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[[(3R)-3-hydroxytetradecanoyl]amino]oxan-4-yl] (3R)-3-hydroxytetradecanoate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat