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8-Bromo-2'-deoxy-Guanosine

View entire compound with spectra: 1 MS (GC)

8-Bromo-2'-deoxy-Guanosine
SpectraBase Compound ID 3feUnnExtvZ
InChI InChI=1S/C10H12BrN5O4/c11-9-13-6-7(14-10(12)15-8(6)19)16(9)5-1-3(18)4(2-17)20-5/h3-5,17-18H,1-2H2,(H3,12,14,15,19)/t3-,4+,5+/m0/s1
InChIKey MKDXZFVCXWXGBQ-VPENINKCSA-N
Mol Weight 346.14 g/mol
Molecular Formula C10H12BrN5O4
Exact Mass 345.007267 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BKhbiPZyFPT
Name 8-Bromo-2'-deoxy-Guanosine
Alternate Name(s) 2-Amino-8-bromo-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-3H-purin-6-one 2-Amino-8-bromo-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one 2-Amino-8-bromo-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one 2-Azanyl-8-bromanyl-9-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-3H-purin-6-one
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Formula C10H12BrN5O4
InChI InChI=1S/C10H12BrN5O4/c11-9-13-6-7(14-10(12)15-8(6)19)16(9)5-1-3(18)4(2-17)20-5/h3-5,17-18H,1-2H2,(H3,12,14,15,19)/t3-,4+,5+/m0/s1
InChIKey MKDXZFVCXWXGBQ-VPENINKCSA-N
Molecular Weight 346.141 g/mol
SMILES N1C(c2c([n]([C@]3(C[C@@]([C@](O3)(CO)[H])(O)[H])[H])c(n2)Br)N=C1N)=O
SPLASH splash10-0060-0090000000-c57320d9e62a1fc227a3
Source of Spectrum CRT-3-446-8-Br-dG
Wiley ID 1709121