Chem
J-GLOBAL ID:200907085840023686
Nikkaji number:J2.126.432F
[(1S,2R,3S,5S)-3-Hydroxy-5-(6-amino-9H-purine-9-yl)bicyclo[3.1.0]hexane-2-yl]methyltriphosphate
[(1S,2R,3S,5S)-3-ヒドロキシ-5-(6-アミノ-9H-プリン-9-イル)ビシクロ[3.1.0]ヘキサン-2-イル]メチルトリホスファート
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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:
C12 H18 N5 O11 P3
Molecular formula furigana:
C12-H18-N5-O11-P3
Molecular weight:
501.221
InChI:
InChI=1S/C12H18N5O11P3/c13-10-9-11(15-4-14-10)17(5-16-9)12-1-7(12)6(8(18)2-12)3-26-30(22,23)28-31(24,25)27-29(19,20)21/h4-8,18H,1-3H2,(H,22,23)(H,24,25)(H2,13,14,15)(H2,19,20,21)/t6-,7-,8-,12-/m0/s1
InChI key:
DNBZILMJAUSGHT-QZOVBDONSA-N
SMILES:
Nc1ncnc2n(cnc12)[C@]12C[C@H]1[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)C2
Systematic name (3):
[(1S,2R,3S,5S)-3-ヒドロキシ-5-(6-アミノ-9H-プリン-9-イル)ビシクロ[3.1.0]ヘキサン-2-イル]メチルトリホスファート
({[({[(1S,2R,3S,5S)-5-(6-アミノ-9H-プリン-9-イル)-3-ヒドロキシビシクロ[3.1.0]ヘキサン-2-イル]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,3S,5S)-5-(6-amino-9H-purin-9-yl)-3-hydroxybicyclo[3.1.0]hexan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
Other name (1):
[(1S,2R,3S,5S)-3-Hydroxy-5-(6-amino-9H-purine-9-yl)bicyclo[3.1.0]hexane-2-yl]methyltriphosphate
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