Analyte Name

T-705RMP-13C5 TEA Salt

Molecular Formula

C5¹³C5H13FN3O9P • x(C6H15N)

Molecular Weight

475.35

SMILES

CCN(CC)CC.O[13C@@H]([13C@H]([13C@H](N1C=C(N=C(C1=O)C(N)=O)F)O2)O)[13C@H]2[13CH2]OP(O)(O)=O

InChI

InChI=1S/C10H13FN3O9P.C6H15N/c11-4-1-14(9(18)5(13-4)8(12)17)10-7(16)6(15)3(23-10)2-22-24(19,20)21;1-4-7(5-2)6-3/h1,3,6-7,10,15-16H,2H2,(H2,12,17)(H2,19,20,21);4-6H2,1-3H3/t3-,6-,7-,10-;/m1./s1/i2+1,3+1,6+1,7+1,10+1;

IUPAC

triethylamine ((2R,3S,4R,5R)-5-(3-carbamoyl-5-fluoro-2-oxopyrazin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl-2,3,4,5-13C4)methyl-13C phosphate

Unlabelled CAS Number

356783-08-9 - free acid

SIL Type

Carbon

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat