Chem
J-GLOBAL ID：200907097355716345   Nikkaji number：J746.421E

Phosmidosine B

ホスミドシンB
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： C15H22N7O8P
Molecular formula furigana： C15-H22-N7-O8-P
Molecular weight： 459.356
InChI： InChI=1S/C15H22N7O8P/c16-11-8-12(19-5-18-11)22(15(26)20-8)14-10(24)9(23)7(30-14)4-29-31(27,28)21-13(25)6-2-1-3-17-6/h5-7,9-10,14,17,23-24H,1-4H2,(H,20,26)(H2,16,18,19)(H2,21,25,27,28)/t6?,7-,9-,10-,14-/m1/s1
InChI key： SEHSCEYJWJDMSC-JBJVTEQASA-N
SMILES： Nc1ncnc2n([C@@H]3O[C@H](COP(=O)(O)NC(=O)C4CCCN4)[C@@H](O)[C@H]3O)c(=O)[nH]c12
Systematic name  (3)：
  • 5′-O-[[[(ピロリジン-2-イル)カルボニル]アミノ]ホスホニル]-7,8-ジヒドロ-8-オキソアデノシン
  • {[(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}[(ピロリジン-2-イル)ホルムアミド]ホスフィン酸
  • {[(2R,3S,4R,5R)-5-(6-amino-8-oxo-8,9-dihydro-7H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}[(pyrrolidin-2-yl)formamido]phosphinic acid
Other name (3)：
  • ホスミドシンB
  • Phosmidosine B
  • 5′-O-[[[(Pyrrolidin-2-yl)carbonyl]amino]phosphonyl]-7,8-dihydro-8-oxoadenosine
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