Chem
J-GLOBAL ID:200907026661516916   Nikkaji number:J653.669G

[[4α-[6-Amino-9H-purin-9-yl]cyclohexan-1α-yl]oxy]methylphosphonic acid

rac-[[4α*-[6-アミノ-9H-プリン-9-イル]シクロヘキサン-1α*-イル]オキシ]メチルホスホン酸
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: C12H18N5O4P
Molecular formula furigana: C12-H18-N5-O4-P
Molecular weight: 327.281
InChI: InChI=1S/C12H18N5O4P/c13-11-10-12(15-5-14-11)17(6-16-10)8-1-3-9(4-2-8)21-7-22(18,19)20/h5-6,8-9H,1-4,7H2,(H2,13,14,15)(H2,18,19,20)/t8-,9+
InChI key: KBBJUCSGJFNYSM-DTORHVGOSA-N
SMILES: Nc1ncnc2n(cnc12)[C@@H]1CC[C@@H](CC1)OCP(=O)(O)O
Systematic name  (4):
  • [[4α-[6-アミノ-9H-プリン-9-イル]シクロヘキサン-1α-イル]オキシ]メチルホスホン酸
  • [[4β-[6-アミノ-9H-プリン-9-イル]シクロヘキサン-1β-イル]オキシ]メチルホスホン酸
  • ({[(1s,4s)-4-(6-アミノ-9H-プリン-9-イル)シクロヘキシル]オキシ}メチル)ホスホン酸
  • ({[(1s,4s)-4-(6-amino-9H-purin-9-yl)cyclohexyl]oxy}methyl)phosphonic acid
Other name (3):
  • [[4α-[6-Amino-9H-purin-9-yl]cyclohexan-1α-yl]oxy]methylphosphonic acid
  • [[4β-[6-Amino-9H-purin-9-yl]cyclohexan-1β-yl]oxy]methylphosphonic acid
  • rac-[[4α*-[6-アミノ-9H-プリン-9-イル]シクロヘキサン-1α*-イル]オキシ]メチルホスホン酸
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