Chem
J-GLOBAL ID：200907051346677302   Nikkaji number：J2.394.973C

MRS-2500

(1R,2S,4S,5S)-4-[2-ヨード-6-(メチルアミノ)-9H-プリン-9-イル]-2-(ホスホノオキシ)ビシクロ[3.1.0]ヘキサン-1-メタノール二水素ホスファート
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： C13H18IN5O8P2
Molecular formula furigana： C13-H18-I-N5-O8-P2
Molecular weight： 561.166
InChI： InChI=1S/C13H18IN5O8P2/c1-15-10-9-11(18-12(14)17-10)19(5-16-9)7-2-8(27-29(23,24)25)13(3-6(7)13)4-26-28(20,21)22/h5-8H,2-4H2,1H3,(H,15,17,18)(H2,20,21,22)(H2,23,24,25)/t6-,7+,8+,13+/m1/s1
InChI key： NMVWLEUONAKGCD-SMWKGLLFSA-N
SMILES： CNc1nc(I)nc2n(cnc12)[C@H]1C[C@H](OP(=O)(O)O)[C@]2(COP(=O)(O)O)C[C@H]12
Systematic name  (3)：
  • (1R,2S,4S,5S)-4-[2-ヨード-6-(メチルアミノ)-9H-プリン-9-イル]-2-(ホスホノオキシ)ビシクロ[3.1.0]ヘキサン-1-メタノール二水素ホスファート
  • {[(1R,2S,4S,5S)-4-[2-ヨード-6-(メチルアミノ)-9H-プリン-9-イル]-2-(ホスホノオキシ)ビシクロ[3.1.0]ヘキサン-1-イル]メトキシ}ホスホン酸
  • {[(1R,2S,4S,5S)-4-[2-iodo-6-(methylamino)-9H-purin-9-yl]-2-(phosphonooxy)bicyclo[3.1.0]hexan-1-yl]methoxy}phosphonic acid
Other name (2)：
  • (1R,2S,4S,5S)-4-[2-Iodo-6-(methylamino)-9H-purine-9-yl]-2-(phosphonooxy)bicyclo[3.1.0]hexane-1-methanol dihydrogen phosphate
  • MRS-2500
CAS registry number： 779323-43-2
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