(((((2R,3R,4S,5R)-5-(2-Chloro-6-(cyclopentylamino)-9H-purin-9-yl)-4-fluoro-3-hydroxytetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)methyl)phosphonic Acid

Analyte Name

(((((2R,3R,4S,5R)-5-(2-Chloro-6-(cyclopentylamino)-9H-purin-9-yl)-4-fluoro-3-hydroxytetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)methyl)phosphonic Acid

CAS Number

2105903-93-1

Molecular Formula

C16 H23 Cl F N5 O8 P2

Molecular Weight

529.782

Accurate Mass

529.069

SMILES

O[C@H]1[C@H](F)[C@@H](O[C@@H]1COP(=O)(O)CP(=O)(O)O)n2cnc3c(NC4CCCC4)nc(Cl)nc23

InChI

InChI=1S/C16H23ClFN5O8P2/c17-16-21-13(20-8-3-1-2-4-8)11-14(22-16)23(6-19-11)15-10(18)12(24)9(31-15)5-30-33(28,29)7-32(25,26)27/h6,8-10,12,15,24H,1-5,7H2,(H,28,29)(H,20,21,22)(H2,25,26,27)/t9-,10+,12-,15-/m1/s1

IUPAC

[[(2R,3R,4S,5R)-5-[2-chloro-6-(cyclopentylamino)purin-9-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat