Chem
J-GLOBAL ID：200907022661054461   Nikkaji number：J915.034J

MRS-2179

MRS-2179
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： C11H17N5O9P2
Molecular formula furigana： C11-H17-N5-O9-P2
Molecular weight： 425.231
InChI： InChI=1S/C11H17N5O9P2/c1-12-10-9-11(14-4-13-10)16(5-15-9)8-2-6(25-27(20,21)22)7(24-8)3-23-26(17,18)19/h4-8H,2-3H2,1H3,(H,12,13,14)(H2,17,18,19)(H2,20,21,22)/t6-,7+,8+/m0/s1
InChI key： CCPLITQNIFLYQB-XLPZGREQSA-N
SMILES： CNc1ncnc2n(cnc12)[C@H]1C[C@H](OP(=O)(O)O)[C@@H](COP(=O)(O)O)O1
Systematic name  (3)：
  • N-メチル-2′-デオキシアデノシン3′,5′-ビスりん酸
  • {[(2R,3S,5R)-5-[6-(メチルアミノ)-9H-プリン-9-イル]-2-[(ホスホノオキシ)メチル]オキソラン-3-イル]オキシ}ホスホン酸
  • {[(2R,3S,5R)-5-[6-(methylamino)-9H-purin-9-yl]-2-[(phosphonooxy)methyl]oxolan-3-yl]oxy}phosphonic acid
Other name (2)：
  • N-Methyl-2′-deoxyadenosine 3′,5′-bisphosphoric acid
  • MRS-2179
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