Analyte Name

8-bromo-cGMP sodium salt

CAS Number

51116-01-9

Molecular Formula

C10 H10 Br N5 O7 P . Na

Molecular Weight

446.083

Accurate Mass

444.94

SMILES

[Na+].NC1=Nc2c(nc(Br)n2[C@@H]3O[C@@H]4COP(=O)([O-])O[C@H]4[C@H]3O)C(=O)N1

InChI

InChI=1S/C10H11BrN5O7P.Na/c11-9-13-3-6(14-10(12)15-7(3)18)16(9)8-4(17)5-2(22-8)1-21-24(19,20)23-5;/h2,4-5,8,17H,1H2,(H,19,20)(H3,12,14,15,18);/q;+1/p-1/t2-,4-,5-,8-;/m1./s1

IUPAC

sodium;9-[(4aR,6R,7R,7aS)-7-hydroxy-2-oxido-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-amino-8-bromo-1H-purin-6-one

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat