Chem
J-GLOBAL ID:200907049527177722   Nikkaji number:J702.332D

7,8-Dihydro-8-(cyanoboryl)-2′-deoxyguanosine 5′-triphosphoric acid

7,8-ジヒドロ-8-(シアノボリル)-2′-デオキシグアノシン5′-三りん酸
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: C11H18BN6O13P3
Molecular formula furigana: C11-H18-B-N6-O13-P3
Molecular weight: 546.030
InChI: InChI=1S/C11H18BN6O13P3/c13-3-12-10-15-7-8(16-11(14)17-9(7)20)18(10)6-1-4(19)5(29-6)2-28-33(24,25)31-34(26,27)30-32(21,22)23/h4-6,10,12,15,19H,1-2H2,(H,24,25)(H,26,27)(H2,21,22,23)(H3,14,16,17,20)/t4-,5+,6+,10?/m0/s1
InChI key: ZETUAYHVOQMLFE-JKGXRCIZSA-N
SMILES: Nc1nc2N(C(BC#N)Nc2c(=O)[nH]1)[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1
Systematic name  (3):
  • 7,8-ジヒドロ-8-(シアノボリル)-2′-デオキシグアノシン5′-三りん酸
  • ({[({[(2R,3S,5R)-5-[2-アミノ-8-(シアノボラニル)-6-オキソ-6,7,8,9-テトラヒドロ-1H-プリン-9-イル]-3-ヒドロキシオキソラン-2-イル]メトキシ}(ヒドロキシ)ホスホリル)オキシ](ヒドロキシ)ホスホリル}オキシ)ホスホン酸
  • ({[({[(2R,3S,5R)-5-[2-amino-8-(cyanoboranyl)-6-oxo-6,7,8,9-tetrahydro-1H-purin-9-yl]-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
Other name (1):
  • 7,8-Dihydro-8-(cyanoboryl)-2′-deoxyguanosine 5′-triphosphoric acid
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