Chem
J-GLOBAL ID:201207058449539684
Nikkaji number:J2.998.944C
9-[2-O,3-O,5-O-Tris(dimethyl-tert-butylsilyl)-β-D-ribofuranosyl]-6-methoxy-2-[4-(nitrooxy)butyloxy]-9H-purine
9-[2-O,3-O,5-O-トリス(ジメチル-tert-ブチルシリル)-β-D-リボフラノシル]-6-メトキシ-2-[4-(ニトロオキシ)ブチルオキシ]-9H-プリン
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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:
C33 H63 N4 [N+]O8 [O-]Si3
Molecular formula furigana:
C33-H63-N5-O9-SI3
Molecular weight:
758.148
InChI:
InChI=1S/C33H63N5O9Si3/c1-31(2,3)48(11,12)44-21-23-25(46-49(13,14)32(4,5)6)26(47-50(15,16)33(7,8)9)29(45-23)37-22-34-24-27(37)35-30(36-28(24)41-10)42-19-17-18-20-43-38(39)40/h22-23,25-26,29H,17-21H2,1-16H3/t23-,25-,26-,29-/m1/s1
InChI key:
XNJJSSDQPDFNQZ-CTDWIVFPSA-N
SMILES:
COc1nc(OCCCCO[N+](=O)[O-])nc2n(cnc12)[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
Systematic name (3):
9-[2-O,3-O,5-O-トリス(ジメチル-tert-ブチルシリル)-β-D-リボフラノシル]-6-メトキシ-2-[4-(ニトロオキシ)ブチルオキシ]-9H-プリン
4-({9-[(2R,3R,4R,5R)-3,4-ビス[(tert-ブチルジメチルシリル)オキシ]-5-{[(tert-ブチルジメチルシリル)オキシ]メチル}オキソラン-2-イル]-6-メトキシ-9H-プリン-2-イル}オキシ)ブチル ニトラート
4-({9-[(2R,3R,4R,5R)-3,4-bis[(tert-butyldimethylsilyl)oxy]-5-{[(tert-butyldimethylsilyl)oxy]methyl}oxolan-2-yl]-6-methoxy-9H-purin-2-yl}oxy)butyl nitrate
Other name (1):
9-[2-O,3-O,5-O-Tris(dimethyl-tert-butylsilyl)-β-D-ribofuranosyl]-6-methoxy-2-[4-(nitrooxy)butyloxy]-9H-purine
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