2-Chloroadenosine hemihydrate

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Catalog Number CBB1134449
Alternative Name(s) 6-Amino-2-chloropurine riboside
Molecular Formula C10H12ClN5O4 ยท 0.5H2O
CAS# 81012-94-4
Purity >97%
Inchi 1S/2C10H12ClN5O4.H2O/c2*11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9;/h2*2-3,5-6,9,17-19H,1H2,(H2,12,14,15);1H2/t2*3-,5-,6-,9-;/m11./s1
Inchi Key WRURCFOLSGPTMO-IZGCVNAISA-N
SMILES O[C@H]1[C@@H](O)[C@H](N(C=N2)C3=C2C(N)=NC(Cl)=N3)O[C@@H]1CO.O[C@H]4[C@@H](O)[C@H](N(C=N5)C6=C5C(N)=NC(Cl)=N6)O[C@@H]4CO.O
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