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Product Overview

Product Code

TRC-H456790

Product Format

Neat

Molecular Formula

C27 H43 N7 O20 P3 S . x Na

Molecular Weight

933.64

Product Categories

TRC

Product Type

Bioactive Small Molecule

Alternate CAS Number

1553-55-5; 103476-21-7; 1631982-41-6

Documentation

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Product Information

Chemical Data

Analyte Name

HMG-CoA Sodium

Molecular Formula

C27 H43 N7 O20 P3 S . x Na

Molecular Weight

933.64

Accurate Mass

933.14

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+]

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

IUPAC

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

Alternate CAS Number

1553-55-5; 103476-21-7; 1631982-41-6

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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