Chem
J-GLOBAL ID:200907049897380969   Nikkaji number:J2.691.347K

1-[3-O-Benzyl-5-O-(methylsulfonyl)-3-C-allyl-4-C-(methylsulfonyloxymethyl)-2-deoxy-β-D-xylofuranosyl]thymine

1-[3-O-ベンジル-5-O-(メチルスルホニル)-3-C-アリル-4-C-(メチルスルホニルオキシメチル)-2-デオキシ-β-D-キシロフラノシル]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: C23H30N2O10S2
Molecular formula furigana: C23-H30-N2-O10-S2
Molecular weight: 558.620
InChI: InChI=1S/C23H30N2O10S2/c1-5-11-22(32-14-18-9-7-6-8-10-18)12-19(25-13-17(2)20(26)24-21(25)27)35-23(22,15-33-36(3,28)29)16-34-37(4,30)31/h5-10,13,19H,1,11-12,14-16H2,2-4H3,(H,24,26,27)/t19-,22-/m1/s1
InChI key: QUHPMEAGKIOJCK-DENIHFKCSA-N
SMILES: Cc1cn([C@H]2C[C@@](CC=C)(OCc3ccccc3)C(COS(=O)(=O)C)(COS(=O)(=O)C)O2)c(=O)[nH]c1=O
Systematic name  (3):
  • 1-[3-O-ベンジル-5-O-(メチルスルホニル)-3-C-アリル-4-C-(メチルスルホニルオキシメチル)-2-デオキシ-β-D-キシロフラノシル]チミン
  • [(3R,5R)-3-(ベンジルオキシ)-2-[(メタンスルホニルオキシ)メチル]-5-(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)-3-(プロパ-2-エン-1-イル)オキソラン-2-イル]メチル メタンスルホナート
  • [(3R,5R)-3-(benzyloxy)-2-[(methanesulfonyloxy)methyl]-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3-(prop-2-en-1-yl)oxolan-2-yl]methyl methanesulfonate
Other name (1):
  • 1-[3-O-Benzyl-5-O-(methylsulfonyl)-3-C-allyl-4-C-(methylsulfonyloxymethyl)-2-deoxy-β-D-xylofuranosyl]thymine
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