Chem
J-GLOBAL ID：200907093438782409
Nikkaji number：J2.327.568F
3′-O,5′-O-[(Inosine-5′-O,3′-O-diyl)bisphosphinico]inosine
3′-O,5′-O-[(イノシン-5′-O,3′-O-ジイル)ビスホスフィニコ]イノシン
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
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
Molecular formula： C20H22N8O14P2
Molecular formula furigana： C20-H22-N8-O14-P2
Molecular weight： 660.386
InChI：
InChI=1S/C20H22N8O14P2/c29-11-13-7(39-19(11)27-5-25-9-15(27)21-3-23-17(9)31)1-37-43(33,34)42-14-8(2-38-44(35,36)41-13)40-20(12(14)30)28-6-26-10-16(28)22-4-24-18(10)32/h3-8,11-14,19-20,29-30H,1-2H2,(H,33,34)(H,35,36)(H,21,23,31)(H,22,24,32)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1
InChI key：
VFTRASQVWRBMKD-XPWFQUROSA-N
SMILES：
O[C@H]1[C@@H](O[C@@H]2COP(=O)(O)O[C@@H]3[C@@H](COP(=O)(O)O[C@@H]12)O[C@H]([C@@H]3O)n1cnc2c1nc[nH]c2=O)n1cnc2c1nc[nH]c2=O
Systematic name (3)：
- 3′-O,5′-O-[(イノシン-5′-O,3′-O-ジイル)ビスホスフィニコ]イノシン
- (1S,6R,8R,9R,10S,15R,17R,18R)-3,9,12,18-テトラヒドロキシ-8,17-ビス(6-オキソ-6,9-ジヒドロ-1H-プリン-9-イル)-2,4,7,11,13,16-ヘキサオキサ-3λ5,12λ5-ジホスファトリシクロ[13.3.0.06,10]オクタデカン-3,12-ジオン
- (1S,6R,8R,9R,10S,15R,17R,18R)-3,9,12,18-tetrahydroxy-8,17-bis(6-oxo-6,9-dihydro-1H-purin-9-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecane-3,12-dione
- 3′-O,5′-O-[(Inosine-5′-O,3′-O-diyl)bisphosphinico]inosine
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