Chem
J-GLOBAL ID:200907075414421733   Nikkaji number:J1.051.009K

N-[2-[[3-O-(β-L-glycero-D-manno-Heptopyranosyl)-4-O-β-D-glucopyranosyl-β-L-glycero-D-manno-heptopyranosyl]oxy]ethyl]-2,2,2-trifluoroacetamide

N-[2-[[3-O-(β-L-glycero-D-manno-ヘプトピラノシル)-4-O-β-D-グルコピラノシル-β-L-glycero-D-manno-ヘプトピラノシル]オキシ]エチル]-2,2,2-トリフルオロアセトアミド
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: C24H40F3NO19
Molecular formula furigana: C24-H40-F3-N-O19
Molecular weight: 703.567
InChI: InChI=1S/C24H40F3NO19/c25-24(26,27)23(41)28-1-2-42-20-15(40)18(46-22-14(39)11(36)12(37)16(44-22)6(32)3-29)19(17(45-20)7(33)4-30)47-21-13(38)10(35)9(34)8(5-31)43-21/h6-22,29-40H,1-5H2,(H,28,41)/t6-,7-,8+,9+,10-,11-,12-,13+,14-,15-,16+,17+,18+,19+,20-,21-,22+/m0/s1
InChI key: RHGWJQTUVPZLDI-DHSUOJLZSA-N
SMILES: OC[C@H](O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](OCCNC(=O)C(F)(F)F)O[C@H]([C@@H](O)CO)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3):
  • N-[2-[[3-O-(β-L-glycero-D-manno-ヘプトピラノシル)-4-O-β-D-グルコピラノシル-β-L-glycero-D-manno-ヘプトピラノシル]オキシ]エチル]-2,2,2-トリフルオロアセトアミド
  • N-(2-{[(2S,3S,4R,5R,6R)-6-[(1S)-1,2-ジヒドロキシエチル]-4-{[(2R,3S,4S,5S,6R)-6-[(1S)-1,2-ジヒドロキシエチル]-3,4,5-トリヒドロキシオキサン-2-イル]オキシ}-3-ヒドロキシ-5-{[(2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}オキサン-2-イル]オキシ}エチル)-2,2,2-トリフルオロアセトアミド
  • N-(2-{[(2S,3S,4R,5R,6R)-6-[(1S)-1,2-dihydroxyethyl]-4-{[(2R,3S,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy}-3-hydroxy-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}ethyl)-2,2,2-trifluoroacetamide
Other name (1):
  • N-[2-[[3-O-(β-L-glycero-D-manno-Heptopyranosyl)-4-O-β-D-glucopyranosyl-β-L-glycero-D-manno-heptopyranosyl]oxy]ethyl]-2,2,2-trifluoroacetamide
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