6-N-Biotinylaminohexyl Isopropyl Phosphorofluoridate, Hemihydrate

Analyte Name

6-N-Biotinylaminohexyl Isopropyl Phosphorofluoridate, Hemihy

CAS Number

353754-93-5

Molecular Formula

2 C19 H35 F N3 O5 P S . H2 O

Molecular Weight

953.09

Accurate Mass

952.4144

SMILES

O.CC(C)OP(=O)(F)OCCCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12.CC(C)OP(=O)(F)OCCCCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34

InChI

InChI=1S/2C19H35FN3O5PS.H2O/c2*1-14(2)28-29(20,26)27-12-8-4-3-7-11-21-17(24)10-6-5-9-16-18-15(13-30-16)22-19(25)23-18;/h2*14-16,18H,3-13H2,1-2H3,(H,21,24)(H2,22,23,25);1H2/t2*15-,16-,18-,29?;/m00./s1

IUPAC

5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[6-[fluoro(propan-2-yloxy)phosphoryl]oxyhexyl]pentanamide;hydrate

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat