Analyte Name

CMP-9-fluoresceinyl-NeuAc

CAS Number

118720-35-7

Molecular Formula

C41 H43 N6 O20 P S

Molecular Weight

1002.847

Accurate Mass

1002.199

SMILES

CC(=O)N[C@@H]1[C@@H](O)C[C@](OP(=O)(O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N3C=CC(=NC3=O)N)(O[C@H]1C(O)[C@H](O)CNC(=S)Nc4ccc5c(c4)C(=O)OC56c7ccc(O)cc7Oc8cc(O)ccc68)C(=O)O

InChI

InChI=1S/C41H43N6O20PS/c1-16(48)44-30-24(51)13-40(37(57)58,67-68(60,61)62-15-28-32(54)33(55)35(64-28)47-9-8-29(42)46-39(47)59)65-34(30)31(53)25(52)14-43-38(69)45-17-2-5-21-20(10-17)36(56)66-41(21)22-6-3-18(49)11-26(22)63-27-12-19(50)4-7-23(27)41/h2-12,24-25,28,30-35,49-55H,13-15H2,1H3,(H,44,48)(H,57,58)(H,60,61)(H2,42,46,59)(H2,43,45,69)/t24-,25+,28+,30+,31?,32+,33+,34+,35+,40+/m0/s1

IUPAC

(2R,4S,5R,6R)-5-acetamido-2-[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-6-[(2R)-3-[(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)carbamothioylamino]-1,2-dihydroxypropyl]-4-hydroxyoxane-2-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat