Chem
J-GLOBAL ID:200907048238252981   Nikkaji number:J835.988A

1-[2-(9H-Fluoren-9-ylmethoxycarbonylamino)-3-O,4-O-bis(tert-butyldimethylsilyl)-2-deoxy-β-D-glucopyranuronosyl]thymine

1-[2-(9H-フルオレン-9-イルメトキシカルボニルアミノ)-3-O,4-O-ビス(tert-ブチルジメチルシリル)-2-デオキシ-β-D-グルコピラヌロノシル]チミン
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: C38H53N3O9Si2
Molecular formula furigana: C38-H53-N3-O9-SI2
Molecular weight: 752.024
InChI: InChI=1S/C38H53N3O9Si2/c1-22-20-41(35(45)40-32(22)42)33-28(39-36(46)47-21-27-25-18-14-12-16-23(25)24-17-13-15-19-26(24)27)29(49-51(8,9)37(2,3)4)30(31(48-33)34(43)44)50-52(10,11)38(5,6)7/h12-20,27-31,33H,21H2,1-11H3,(H,39,46)(H,43,44)(H,40,42,45)/t28-,29-,30+,31+,33-/m1/s1
InChI key: CBIXNKQJIHGHCW-HVXHYHBXSA-N
SMILES: Cc1cn([C@@H]2O[C@@H]([C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2NC(=O)OCC2c3ccccc3c3ccccc23)C(=O)O)c(=O)[nH]c1=O
Systematic name  (3):
  • 1-[2-(9H-フルオレン-9-イルメトキシカルボニルアミノ)-3-O,4-O-ビス(tert-ブチルジメチルシリル)-2-デオキシ-β-D-グルコピラヌロノシル]チミン
  • (2S,3R,4R,5R,6R)-3,4-ビス[(tert-ブチルジメチルシリル)オキシ]-5-({[(9H-フルオレン-9-イル)メトキシ]カルボニル}アミノ)-6-(5-メチル-2,4-ジオキソ-1,2,3,4-テトラヒドロピリミジン-1-イル)オキサン-2-カルボン酸
  • (2S,3R,4R,5R,6R)-3,4-bis[(tert-butyldimethylsilyl)oxy]-5-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-6-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxane-2-carboxylic acid
Other name (1):
  • 1-[2-(9H-Fluoren-9-ylmethoxycarbonylamino)-3-O,4-O-bis(tert-butyldimethylsilyl)-2-deoxy-β-D-glucopyranuronosyl]thymine
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