Chem
J-GLOBAL ID:200907082117287307
Nikkaji number:J2.126.433D
[(1R,2S,4S,5S)-2-Hydroxy-4-(6-amino-9H-purine-9-yl)bicyclo[3.1.0]hexane-1-yl]methyltriphosphate
[(1R,2S,4S,5S)-2-ヒドロキシ-4-(6-アミノ-9H-プリン-9-イル)ビシクロ[3.1.0]ヘキサン-1-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)7-1-8(18)12(2-6(7)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+/m1/s1
InChI key:
ZDQTYRSOYYLILG-VXDIOVFMSA-N
SMILES:
Nc1ncnc2n(cnc12)[C@H]1C[C@H](O)[C@]2(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C[C@H]12
Systematic name (3):
[(1R,2S,4S,5S)-2-ヒドロキシ-4-(6-アミノ-9H-プリン-9-イル)ビシクロ[3.1.0]ヘキサン-1-イル]メチルトリホスファート
({[({[(1R,2S,4S,5S)-4-(6-アミノ-9H-プリン-9-イル)-2-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](ヒドロキシ)ホスホリル}オキシ)ホスホン酸
({[({[(1R,2S,4S,5S)-4-(6-amino-9H-purin-9-yl)-2-hydroxybicyclo[3.1.0]hexan-1-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
Other name (1):
[(1R,2S,4S,5S)-2-Hydroxy-4-(6-amino-9H-purine-9-yl)bicyclo[3.1.0]hexane-1-yl]methyltriphosphate
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