Analyte Name

Methyl 4-[(1S)-3-(Methylamino)-1-(2-thienyl)propoxy]-1-naphthalenyl-beta-D-Glucopyranosiduronic Acid Ester

CAS Number

741693-99-2

Molecular Formula

C25H29NO8S

Molecular Weight

503.56

Accurate Mass

503.16

SMILES

O[C@@H]1[C@@H](C(OC)=O)O[C@@H](OC2=C(C=CC=C3)C3=C(O[C@@H](CCNC)C4=CC=CS4)C=C2)[C@H](O)[C@H]1O

InChI

InChI=1S/C25H29NO8S/c1-26-12-11-18(19-8-5-13-35-19)32-16-9-10-17(15-7-4-3-6-14(15)16)33-25-22(29)20(27)21(28)23(34-25)24(30)31-2/h3-10,13,18,20-23,25-29H,11-12H2,1-2H3/t18-,20-,21-,22+,23-,25+/m0/s1

IUPAC

methyl (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-((4-((S)-3-(methylamino)-1-(thiophen-2-yl)propoxy)naphthalen-1-yl)oxy)tetrahydro-2H-pyran-2-carboxylate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat