Analyte Name

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

CAS Number

208445-06-1

Molecular Formula

C10H10BrN5NaO6PS

Molecular Weight

462.15

Accurate Mass

460.92

SMILES

BrC1=NC(C(N=C(N2)N)=O)=C2N1[C@H]3[C@@H]([C@@]4([H])[C@](COP([O-])(O4)=S)([H])O3)O.[Na+]

InChI

InChI=1S/C10H11BrN5O6PS.Na/c11-9-13-3-6(14-10(12)15-7(3)18)16(9)8-4(17)5-2(21-8)1-20-23(19,24)22-5;/h2,4-5,8,17H,1H2,(H,19,24)(H3,12,14,15,18);/q;+1/p-1/t2-,4-,5-,8-,23?;/m1./s1

IUPAC

sodium (4aR,6R,7R,7aS)-6-(2-amino-8-bromo-6-oxo-3,6-dihydro-9H-purin-9-yl)-7-hydroxytetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-olate 2-sulfide

Alternate CAS Number

150418-07-8

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat