Chem
J-GLOBAL ID：200907033285978012   Nikkaji number：J2.609.640E

MRS-2365

二りん酸α-[[(1R,2R,3S,4R,5S)-4-[6-アミノ-2-(メチルチオ)-9H-プリン-9-イル]-2,3-ジヒドロキシビシクロ[3.1.0]ヘキサン-1-イル]メチル]
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： C13H19N5O9P2S
Molecular formula furigana： C13-H19-N5-O9-P2-S
Molecular weight： 483.330
InChI： InChI=1S/C13H19N5O9P2S/c1-30-12-16-10(14)6-11(17-12)18(4-15-6)7-5-2-13(5,9(20)8(7)19)3-26-29(24,25)27-28(21,22)23/h4-5,7-9,19-20H,2-3H2,1H3,(H,24,25)(H2,14,16,17)(H2,21,22,23)/t5-,7-,8+,9+,13+/m1/s1
InChI key： WJDVSMBTIILRAJ-XEMBYONJSA-N
SMILES： CSc1nc(N)c2ncn([C@@H]3[C@H]4C[C@@]4(COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2n1
Systematic name  (3)：
  • 二りん酸α-[[(1R,2R,3S,4R,5S)-4-[6-アミノ-2-(メチルチオ)-9H-プリン-9-イル]-2,3-ジヒドロキシビシクロ[3.1.0]ヘキサン-1-イル]メチル]
  • [({[(1R,2R,3S,4R,5S)-4-[6-アミノ-2-(メチルスルファニル)-9H-プリン-9-イル]-2,3-ジヒドロキシビシクロ[3.1.0]ヘキサン-1-イル]メトキシ}(ヒドロキシ)ホスホリル)オキシ]ホスホン酸
  • [({[(1R,2R,3S,4R,5S)-4-[6-amino-2-(methylsulfanyl)-9H-purin-9-yl]-2,3-dihydroxybicyclo[3.1.0]hexan-1-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid
Other name (2)：
  • Diphosphoric acid α-[[(1R,2R,3S,4R,5S)-4-[6-amino-2-(methylthio)-9H-purine-9-yl]-2,3-dihydroxybicyclo[3.1.0]hexane-1-yl]methyl] ester
  • MRS-2365
CAS registry number： 436847-09-5
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