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8-Bromoadenosine 3',5'-cyclic monophosphate

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Basic information
Standard English name
Cas No. 23583-48-4
Alias (4aR,6R,7R,7aS)-6-(6-amino-8-bromo-9H-purin-9-yl)-2,7-dihydroxytetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine 2-oxide
Canonical Smiles NC1N=CN=C2C=1N=C(Br)N2[C@@H]1O[C@@H]2COP(O)(=O)O[C@H]2[C@H]1O
MDL No. MFCD00075580
Exact Mass 406.96303
Smiles BrC1=NC2=C(N)N=CN=C2N1[C@H](O3)[C@H](O)[C@H](O4)[C@H]3COP4(O)=O
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Character
Storage Condition
Melting Point 254 °C (dec.) (lit.)
Boiling Point 741.9±70.0 °C(Predicted)
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Chemical Stability
Density 2.80±0.1 g/cm3(Predicted)
Vapor Pressure
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Inchi InChI=1S/C10H11BrN5O6P/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-5(17)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,17H,1H2,(H,18,19)(H2,12,13,14)/t3-,5-,6-,9-/m1/s1
InchiKey DVKQVRZMKBDMDH-UUOKFMHZSA-N
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