Adenosine 5’-Triphosphate triethylamine salt-13C5

Analyte Name

Adenosine 5'-Triphosphate triethylamine salt-13C5

Molecular Formula

C5 13C5 H16 N5 O13 P3 .4[C6 H15 N]

Molecular Weight

916.49

Accurate Mass

916.92

SMILES

CCN(CC)CC.CCN(CC)CC.CCN(CC)CC.CCN(CC)CC.NC1=NC=NC2=C1N=CN2[13C@H]3[13C@H](O)[13C@H](O)[13C@@H]([13CH2]OP(OP(OP(O)(O)=O)(O)=O)(O)=O)O3

InChI

InChI=1S/C10H16N5O13P3.4C6H15N/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20;4*1-4-7(5-2)6-3/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20);4*4-6H2,1-3H3/t4-,6-,7-,10-;;;;/m1..../s1/i1+1,4+1,6+1,7+1,10+1;;;;

IUPAC

tetrakis(triethylamine) ((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl-2,3,4,5-13C4)methyl-13C triphosphate

SIL Type

Carbon

Country of Origin

CANADA

Product Format

Neat