Chem
J-GLOBAL ID：200907029429723130   Nikkaji number：J376.720E

Phosmidosine

ホスミドシン
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： C16H24N7O8P
Molecular formula furigana： C16-H24-N7-O8-P
Molecular weight： 473.383
InChI： InChI=1S/C16H24N7O8P/c1-29-32(28,22-14(26)7-3-2-4-18-7)30-5-8-10(24)11(25)15(31-8)23-13-9(21-16(23)27)12(17)19-6-20-13/h6-8,10-11,15,18,24-25H,2-5H2,1H3,(H,21,27)(H2,17,19,20)(H,22,26,28)/t7-,8+,10+,11+,15+,32?/m0/s1
InChI key： HBJDRXMCLFRSGN-CRDJCKMPSA-N
SMILES： COP(=O)(NC(=O)[C@@H]1CCCN1)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c2ncnc(N)c2[nH]c1=O
Systematic name  (3)：
  • 5′-O-[メトキシ[[[(2S)-ピロリジン-2α-イル]カルボニル]アミノ]ホスフィニル]-7,8-ジヒドロ-8-オキソアデノシン
  • (2S)-N-({[(2R,3S,4R,5R)-5-(6-アミノ-8-オキソ-8,9-ジヒドロ-7H-プリン-9-イル)-3,4-ジヒドロキシオキソラン-2-イル]メトキシ}(メトキシ)ホスホリル)ピロリジン-2-カルボキサミド
  • (2S)-N-({[(2R,3S,4R,5R)-5-(6-amino-8-oxo-8,9-dihydro-7H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(methoxy)phosphoryl)pyrrolidine-2-carboxamide
Other name (3)：
  • Phosmidosine
  • ホスミドシン
  • 5′-O-[Methoxy[[[(2S)-pyrrolidin-2α-yl]carbonyl]amino]phosphinyl]-7,8-dihydro-8-oxoadenosine
CAS registry number： 134966-01-1
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