Chem
J-GLOBAL ID：200907063988827772   Nikkaji number：J932.099G

NeoSTX

NeoSTX
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： C10H19N5[N+]2O5
Molecular formula furigana： C10-H19-N7-O5
Molecular weight： 317.305
InChI： InChI=1S/C10H17N7O5/c11-6-14-5-4(3-22-8(13)18)17(21)7(12)16-2-1-9(19,20)10(5,16)15-6/h4-5,12,19-21H,1-3H2,(H2,13,18)(H3,11,14,15)/p+2/t4-,5-,10-/m0/s1
InChI key： PPEKGEBBBBNZKS-HGRQIUPRSA-P
SMILES： NC(=O)OC[C@H]1[C@@H]2NC(=[NH2+])N[C@@]32N(CCC3(O)O)C(=[NH2+])N1O
Systematic name  (3)：
  • [[(4R,10aS)-4α-(カルバモイルオキシメチル)-5,10,10-トリヒドロキシ-3aα,4,9,10-テトラヒドロ-1H,8H-ピロロ[1,2-c]プリン]-2,6(3H,5H)-ジイリデン]ジイミニウム
  • (3aS,4R,10aS)-4-[(カルバモイルオキシ)メチル]-5,10,10-トリヒドロキシ-デカヒドロピロロ[1,2-c]プリン-2,6-ビス(イミニウム)
  • (3aS,4R,10aS)-4-[(carbamoyloxy)methyl]-5,10,10-trihydroxy-decahydropyrrolo[1,2-c]purine-2,6-bis(iminium)
Other name (2)：
  • NeoSTX
  • [[(4R,10aS)-4α-(Carbamoyloxymethyl)-5,10,10-trihydroxy-3aα,4,9,10-tetrahydro-1H,8H-pyrrolo[1,2-c]purine]-2,6(3H,5H)-diylidene]diiminium
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