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(1S,2S,4S,5R)-(-)-4-(6-Aminopurin-9-yl)bicyclo[3.1.0]hexan-2-ol
SpectraBase Compound ID CI6NmWXSKGg
InChI InChI=1S/C11H13N5O/c12-10-9-11(14-3-13-10)16(4-15-9)7-2-8(17)6-1-5(6)7/h3-8,17H,1-2H2,(H2,12,13,14)/t5-,6+,7+,8+/m1/s1
InChIKey ZIRZOHRFWOMOEY-KVPKETBZSA-N
Mol Weight 231.26 g/mol
Molecular Formula C11H13N5O
Exact Mass 231.11201 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GeOFxK7Lx4r
Name (1S,2S,4S,5R)-(-)-4-(6-Aminopurin-9-yl)bicyclo[3.1.0]hexan-2-ol
Alternate Name(s) (1R,2S,4S,5S)-2-(6-aminopurin-9-yl)-4-bicyclo[3.1.0]hexanol (1R,2S,4S,5S)-2-(6-aminopurin-9-yl)bicyclo[3.1.0]hexan-4-ol (1R,2S,4S,5S)-2-adenin-9-ylbicyclo[3.1.0]hexan-4-ol (1S,2S,4S,5R)-4-(6-amino-9H-purin-9-yl)bicyclo[3.1.0]hexan-2-ol (1S,2S,4S,5R)-4-(6-aminopurin-9-yl)-2-bicyclo[3.1.0]hexanol (1S,2S,4S,5R)-4-(6-aminopurin-9-yl)bicyclo[3.1.0]hexan-2-ol
Comments Less than 3 mono-isotopic peaks
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Formula C11H13N5O
InChI InChI=1S/C11H13N5O/c12-10-9-11(14-3-13-10)16(4-15-9)7-2-8(17)6-1-5(6)7/h3-8,17H,1-2H2,(H2,12,13,14)/t5-,6+,7+,8+/m1/s1
InChIKey ZIRZOHRFWOMOEY-KVPKETBZSA-N
Molecular Weight 231.259 g/mol
SMILES Nc1ncnc2c1nc[n]2[C@@]1([C@]2([C@@]([C@](C1)(O)[H])(C2)[H])[H])[H]
SPLASH splash10-01p9-0940000000-35a808ff9687c7e34773
Source of Spectrum KC-0-257-8
Wiley ID 785109