Chem
J-GLOBAL ID:201707006250940077
Nikkaji number:J3.653.949F
Adenosine 5′-diphosphoric acid β-[(3β,4β-dihydroxy-5β-methoxytetrahydrofuran-2α-yl)methyl] ester
アデノシン5′-二りん酸β-[(3β,4β-ジヒドロキシ-5β-メトキシテトラヒドロフラン-2α-イル)メチル]
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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:
C16 H25 N5 O14 P2
Molecular formula furigana:
C16-H25-N5-O14-P2
Molecular weight:
573.345
InChI:
InChI=1S/C16H25N5O14P2/c1-30-16-12(25)10(23)7(34-16)3-32-37(28,29)35-36(26,27)31-2-6-9(22)11(24)15(33-6)21-5-20-8-13(17)18-4-19-14(8)21/h4-7,9-12,15-16,22-25H,2-3H2,1H3,(H,26,27)(H,28,29)(H2,17,18,19)/t6-,7-,9-,10-,11-,12-,15-,16+/m1/s1
InChI key:
XNNSDOSOBTWHPT-DBXCYWGHSA-N
SMILES:
CO[C@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O
Systematic name (3):
アデノシン5′-二りん酸β-[(3β,4β-ジヒドロキシ-5β-メトキシテトラヒドロフラン-2α-イル)メチル]
[({[(2R,3S,4R,5R)-5-(6-アミノ-9H-プリン-9-イル)-3,4-ジヒドロキシオキソラン-2-イル]メトキシ}(ヒドロキシ)ホスホリル)オキシ]({[(2R,3S,4R,5S)-3,4-ジヒドロキシ-5-メトキシオキソラン-2-イル]メトキシ})ホスフィン酸
[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]({[(2R,3S,4R,5S)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methoxy})phosphinic acid
Other name (1):
Adenosine 5′-diphosphoric acid β-[(3β,4β-dihydroxy-5β-methoxytetrahydrofuran-2α-yl)methyl] ester
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