Chem
J-GLOBAL ID：200907004668006766   Nikkaji number：J2.738.196K

(1R,2R,3S)-1-(2-Amino-6-oxo-1,6-dihydro-9H-purine-9-yl)cyclobutane-2,3-bis(methanol)3-triphosphate

(1R,2R,3S)-1-(2-アミノ-6-オキソ-1,6-ジヒドロ-9H-プリン-9-イル)シクロブタン-2,3-ビス(メタノール)3-トリホスファート
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： C11H18N5O12P3
Molecular formula furigana： C11-H18-N5-O12-P3
Molecular weight： 505.209
InChI： InChI=1S/C11H18N5O12P3/c12-11-14-9-8(10(18)15-11)13-4-16(9)7-1-5(6(7)2-17)3-26-30(22,23)28-31(24,25)27-29(19,20)21/h4-7,17H,1-3H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,12,14,15,18)/t5-,6-,7-/m1/s1
InChI key： BFEIQVQVBMEJGH-FSDSQADBSA-N
SMILES： Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1C[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H]1CO
Systematic name  (3)：
  • (1R,2R,3S)-1-(2-アミノ-6-オキソ-1,6-ジヒドロ-9H-プリン-9-イル)シクロブタン-2,3-ビス(メタノール)3-トリホスファート
  • ({[({[(1S,2R,3R)-3-(2-アミノ-6-オキソ-6,9-ジヒドロ-1H-プリン-9-イル)-2-(ヒドロキシメチル)シクロブチル]メトキシ}(ヒドロキシ)ホスホリル)オキシ](ヒドロキシ)ホスホリル}オキシ)ホスホン酸
  • ({[({[(1S,2R,3R)-3-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-2-(hydroxymethyl)cyclobutyl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
Other name (1)：
  • (1R,2R,3S)-1-(2-Amino-6-oxo-1,6-dihydro-9H-purine-9-yl)cyclobutane-2,3-bis(methanol)3-triphosphate
Thsaurus map：
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