N6-(N-Threonylcarbonyl)adenosine-2',3',5'-triacetate-13C4,15N

Analyte Name

N6-(N-Threonylcarbonyl)adenosine-2',3',5'-triacetate-13C4,15N

Molecular Formula

13C4 C17 H25 15N N5 O11

Molecular Weight

542.421

Accurate Mass

542.169

SMILES

[13CH3][13C@@](O)[13C@H]([15NH]C(=O)Nc1ncnc2c1ncn2[C@@H]3O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H]3OC(=O)C)[13C](=O)O

InChI

InChI=1S/C21H25N6O11/c1-8(28)13(20(32)33)25-21(34)26-17-14-18(23-6-22-17)27(7-24-14)19-16(37-11(4)31)15(36-10(3)30)12(38-19)5-35-9(2)29/h6-7,12-13,15-16,19,28H,5H2,1-4H3,(H,32,33)(H2,22,23,25,26,34)/t12-,13+,15-,16-,19-/m1/s1/i1+1,8+1,13+1,20+1,25+1

IUPAC

(2S,3R)-2-[[9-[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]purin-6-yl]carbamoyl(15N)amino]-3-hydroxy(1,2,3,4-13C4)butanoic acid

SIL Type

Carbon, Nitrogen

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat