HMG-CoA Sodium Salt

Product Specifications

CAS Number

103476-21-7

Hazard Statement

No Data Available

Purity

>95% (HPLC)

Smiles

NC1=NC=NC2=C1N=CN2[C@H]3[C@H](O)[C@H](OP(O)([O-])=O)[C@@H](COP(OP(OCC([C@@H](O)C(NCCC(NCCSC(CC(C)(O)CC(O)=O)=O)=O)=O)(C)C)(O)=O)(O)=O)O3.[Na+]

Molecular Formula

C27H44N7O20P3S.xNa

InChI

InChI=1S/C27H44N7O20P3S.Na/c1-26(2,21(40)24(41)30-5-4-15(35)29-6-7-58-17(38)9-27(3,42)8-16(36)37)11-51-57(48,49)54-56(46,47)50-10-14-20(53-55(43,44)45)19(39)25(52-14)34-13-33-18-22(28)31-12-32-23(18)34;/h12-14,19-21,25,39-40,42H,4-11H2,1-3H3,(H,29,35)(H,30,41)(H,36,37)(H,46,47)(H,48,49)(H2,28,31,32)(H2,43,44,45);/q;+1/p-1/t14-,19-,20-,21+,25-,27?;/m1./s1

Additionnal Information

IUPAC name: sodium (2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-(((((((3R)-4-((3-((2-((4-carboxy-3-hydroxy-3-methylbutanoyl)thio)ethyl)amino)-3-oxopropyl)amino)-3-hydroxy-2,2-dimethyl-4-oxobutoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)methyl)-4-hydroxytetrahydrofuran-3-yl hydrogen phosphate