Chem
J-GLOBAL ID:200907026414307859   Nikkaji number:J1.383.855K

5′-O-[Hydroxy(2′-deoxy-3′-guanosyloxy)thiophophinyl]-2′-deoxyadenosine

5′-O-[ヒドロキシ(2′-デオキシ-3′-グアノシルオキシ)チオホスフィニル]-2′-デオキシアデノシン
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: C20H25N10O8PS
Molecular formula furigana: C20-H25-N10-O8-P-S
Molecular weight: 596.520
InChI: InChI=1S/C20H25N10O8PS/c21-16-14-17(24-5-23-16)29(6-25-14)12-1-8(32)11(37-12)4-35-39(34,40)38-9-2-13(36-10(9)3-31)30-7-26-15-18(30)27-20(22)28-19(15)33/h5-13,31-32H,1-4H2,(H,34,40)(H2,21,23,24)(H3,22,27,28,33)/t8-,9-,10+,11+,12+,13+,39?/m0/s1
InChI key: HPNKAQMPZVFXTG-PKDPGQRQSA-N
SMILES: Nc1nc2n(cnc2c(=O)[nH]1)[C@H]1C[C@H](OP(=S)(O)OC[C@H]2O[C@H](C[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](CO)O1
Systematic name  (3):
  • 5′-O-[ヒドロキシ(2′-デオキシ-3′-グアノシルオキシ)チオホスフィニル]-2′-デオキシアデノシン
  • 2-アミノ-9-[(2R,4S,5R)-4-[({[(2R,3S,5R)-5-(6-アミノ-9H-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)スルファニリデン-λ5-ホスファニル)オキシ]-5-(ヒドロキシメチル)オキソラン-2-イル]-6,9-ジヒドロ-1H-プリン-6-オン
  • 2-amino-9-[(2R,4S,5R)-4-[({[(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)sulfanylidene-λ5-phosphanyl)oxy]-5-(hydroxymethyl)oxolan-2-yl]-6,9-dihydro-1H-purin-6-one
Other name (1):
  • 5′-O-[Hydroxy(2′-deoxy-3′-guanosyloxy)thiophophinyl]-2′-deoxyadenosine
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