Chem
J-GLOBAL ID:200907050973952606   Nikkaji number:J2.068.613H

Guanosine 5′-O-(γ-thiotriphosphoric acid)S-[2-oxo-2-[[2-[1-(difluoroboryl)-3,4-dimethyl-1H-pyrrole-2-ylmethylene]-2H-pyrrole-4-ylmethyl]amino]ethyl] ester

グアノシン5′-O-(γ-チオ三りん酸)S-[2-オキソ-2-[[2-[1-(ジフルオロボリル)-3,4-ジメチル-1H-ピロール-2-イルメチレン]-2H-ピロール-4-イルメチル]アミノ]エチル]
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: C24H30BF2N8O14P3S
Molecular formula furigana: C24-H30-B-F2-N8-O14-P3-S
Molecular weight: 828.330
InChI: InChI=1S/C24H30BF2N8O14P3S/c1-11-7-35(25(26)27)15(12(11)2)4-14-3-13(5-29-14)6-30-17(36)9-53-52(44,45)49-51(42,43)48-50(40,41)46-8-16-19(37)20(38)23(47-16)34-10-31-18-21(34)32-24(28)33-22(18)39/h3-5,7,10,16,19-20,23,37-38H,6,8-9H2,1-2H3,(H,30,36)(H,40,41)(H,42,43)(H,44,45)(H3,28,32,33,39)/t16-,19-,20-,23-/m1/s1
InChI key: POPQOIVBCZVSMA-UGTJMOTHSA-N
SMILES: Cc1cn(B(F)F)c(C=C2C=C(CNC(=O)CSP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c3nc(N)[nH]c4=O)C=N2)c1C
Systematic name  (3):
  • グアノシン5′-O-(γ-チオ三りん酸)S-[2-オキソ-2-[[2-[1-(ジフルオロボリル)-3,4-ジメチル-1H-ピロール-2-イルメチレン]-2H-ピロール-4-イルメチル]アミノ]エチル]
  • ({[({[(2R,3S,4R,5R)-5-(2-アミノ-6-オキソ-6,9-ジヒドロ-1H-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}(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)[({[(2-{[1-(ジフルオロボラニル)-3,4-ジメチル-1H-ピロール-2-イル]メチリデン}-2H-ピロール-4-イル)メチル]カルバモイル}メチル)スルファニル]ホスフィン酸
  • ({[({[(2R,3S,4R,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)[({[(2-{[1-(difluoroboranyl)-3,4-dimethyl-1H-pyrrol-2-yl]methylidene}-2H-pyrrol-4-yl)methyl]carbamoyl}methyl)sulfanyl]phosphinic acid
Other name (1):
  • Guanosine 5′-O-(γ-thiotriphosphoric acid)S-[2-oxo-2-[[2-[1-(difluoroboryl)-3,4-dimethyl-1H-pyrrole-2-ylmethylene]-2H-pyrrole-4-ylmethyl]amino]ethyl] ester
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