RP2

(2R,4aR,6R,7R,7aS)-6-(6-amino-8-bromo-9H-purin-9-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-sulfide


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Chemical Component Summary

Name(2R,4aR,6R,7R,7aS)-6-(6-amino-8-bromo-9H-purin-9-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-sulfide
Synonyms8-Bromoadenosine-3',5'-cyclic monophosphorothioate
Identifiers(1S,3R,6R,8R,9R)-8-(6-azanyl-8-bromo-purin-9-yl)-3-hydroxy-3-sulfanylidene-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-9-ol
FormulaC10 H11 Br N5 O5 P S
Molecular Weight424.168
TypeNON-POLYMER
Isomeric SMILESc1nc(c2c(n1)n(c(n2)Br)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=S)(O4)O)O)N
InChIInChI=1S/C10H11BrN5O5PS/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-5(17)6-3(20-9)1-19-22(18,23)21-6/h2-3,5-6,9,17H,1H2,(H,18,23)(H2,12,13,14)/t3-,5-,6-,9-,22-/m1/s1
InChIKeyRBORURQQJIQWBS-KVBUDSETSA-N

Chemical Details

Formal Charge0
Atom Count34
Chiral Atom Count5
Bond Count37
Aromatic Bond Count10