Fluorescein Alkynylamino-ATP

Analyte Name

Fluorescein Alkynylamino-ATP

CAS Number

185971-89-5

Molecular Formula

C41 H41 N6 O20 P3

Molecular Weight

1030.714

Accurate Mass

1030.159

SMILES

Nc1ncnc2c1c(cn2[C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]3O)C#CCNC(=O)CCCCCNC(=O)c4ccc5c(c4)C(=O)OC56c7ccc(O)cc7Oc8cc(O)ccc68

InChI

InChI=1S/C41H41N6O20P3/c42-36-33-22(18-47(37(33)46-20-45-36)39-35(52)34(51)31(64-39)19-62-69(58,59)67-70(60,61)66-68(55,56)57)5-4-14-43-32(50)6-2-1-3-13-44-38(53)21-7-10-26-25(15-21)40(54)65-41(26)27-11-8-23(48)16-29(27)63-30-17-24(49)9-12-28(30)41/h7-12,15-18,20,31,34-35,39,48-49,51-52H,1-3,6,13-14,19H2,(H,43,50)(H,44,53)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/t31-,34+,35+,39-/m1/s1

IUPAC

[[(2R,3R,4S,5R)-5-[4-amino-5-[3-[6-[(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carbonyl)amino]hexanoylamino]prop-1-ynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat