Chem
J-GLOBAL ID:200907000472475827   Nikkaji number:J493.209I

8-(Benzylthio)guanosine 3′,5′-phosphoric acid

8-(ベンジルチオ)グアノシン3′,5′-りん酸
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C17H18N5O7PS
Molecular formula furigana: C17-H18-N5-O7-P-S
Molecular weight: 467.390
InChI: InChI=1S/C17H18N5O7PS/c18-16-20-13-10(14(24)21-16)19-17(31-7-8-4-2-1-3-5-8)22(13)15-11(23)12-9(28-15)6-27-30(25,26)29-12/h1-5,9,11-12,15,23H,6-7H2,(H,25,26)(H3,18,20,21,24)/t9-,11-,12-,15-/m1/s1
InChI key: KJTLALYILYGFOL-SDBHATRESA-N
SMILES: Nc1nc2n([C@@H]3O[C@@H]4COP(=O)(O)O[C@H]4[C@H]3O)c(SCc3ccccc3)nc2c(=O)[nH]1
Systematic name  (3):
  • 8-(ベンジルチオ)グアノシン3′,5′-りん酸
  • 9-[(4aR,6R,7R,7aS)-2,7-ジヒドロキシ-2-オキソ-ヘキサヒドロ-2λ5-フロ[3,2-d][1,3,2]ジオキサホスフィニン-6-イル]-2-アミノ-8-(ベンジルスルファニル)-6,9-ジヒドロ-1H-プリン-6-オン
  • 9-[(4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxo-hexahydro-2λ5-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-amino-8-(benzylsulfanyl)-6,9-dihydro-1H-purin-6-one
Other name (1):
  • 8-(Benzylthio)guanosine 3′,5′-phosphoric acid
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