Chem
J-GLOBAL ID:201207059549040160   Nikkaji number:J3.090.106A

1-O-[3-(Trifluoroacetylamino)propyl]-2-azido-3-O-[2-O-(2-O,3-O,4-O-triacetyl-α-L-fucopyranosyl)-3-O-[2-(acetylamino)-3-O,4-O,6-O-triacetyl-2-deoxy-α-D-galactopyranosyl]-4-O,6-O-diacetyl-α-D-galactopyranosyl]-4-O,6-O-diacetyl-2-deoxy-β-D-galactopyranose

1-O-[3-(トリフルオロアセチルアミノ)プロピル]-2-アジド-3-O-[2-O-(2-O,3-O,4-O-トリアセチル-α-L-フコピラノシル)-3-O-[2-(アセチルアミノ)-3-O,4-O,6-O-トリアセチル-2-デオキシ-α-D-ガラクトピラノシル]-4-O,6-O-ジアセチル-α-D-ガラクトピラノシル]-4-O,6-O-ジアセチル-2-デオキシ-β-D-ガラクトピラノース
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: C51H70F3N3[N-][N+]O30
Molecular formula furigana: C51-H70-F3-N5-O30
Molecular weight: 1290.121
InChI: InChI=1S/C51H70F3N5O30/c1-19-36(77-24(6)64)42(82-29(11)69)44(83-30(12)70)48(76-19)89-45-43(88-47-34(57-20(2)60)40(81-28(10)68)37(78-25(7)65)32(85-47)17-74-22(4)62)39(80-27(9)67)33(18-75-23(5)63)86-49(45)87-41-35(58-59-55)46(72-15-13-14-56-50(71)51(52,53)54)84-31(16-73-21(3)61)38(41)79-26(8)66/h19,31-49H,13-18H2,1-12H3,(H,56,71)(H,57,60)/t19-,31+,32+,33+,34+,35+,36+,37-,38-,39-,40+,41+,42+,43-,44-,45+,46+,47+,48-,49+/m0/s1
InChI key: YVPYTYRDWHPCDN-BTBJNYCVSA-N
SMILES: C[C@@H]1O[C@@H](O[C@H]2[C@@H](O[C@H]3[C@@H](OC(=O)C)[C@@H](COC(=O)C)O[C@@H](OCCCNC(=O)C(F)(F)F)[C@@H]3N=[N+]=[N-])O[C@H](COC(=O)C)[C@H](OC(=O)C)[C@@H]2O[C@H]2O[C@H](COC(=O)C)[C@H](OC(=O)C)[C@H](OC(=O)C)[C@H]2NC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@@H]1OC(=O)C
Systematic name  (3):
  • 1-O-[3-(トリフルオロアセチルアミノ)プロピル]-2-アジド-3-O-[2-O-(2-O,3-O,4-O-トリアセチル-α-L-フコピラノシル)-3-O-[2-(アセチルアミノ)-3-O,4-O,6-O-トリアセチル-2-デオキシ-α-D-ガラクトピラノシル]-4-O,6-O-ジアセチル-α-D-ガラクトピラノシル]-4-O,6-O-ジアセチル-2-デオキシ-β-D-ガラクトピラノース
  • [(2R,3S,4S,5R,6S)-3-(アセチルオキシ)-6-{[(2R,3R,4R,5R,6R)-3-(アセチルオキシ)-2-[(アセチルオキシ)メチル]-5-アジド-6-[3-(2,2,2-トリフルオロアセトアミド)プロポキシ]オキサン-4-イル]オキシ}-4-{[(2R,3R,4R,5R,6R)-4,5-ビス(アセチルオキシ)-6-[(アセチルオキシ)メチル]-3-アセトアミドオキサン-2-イル]オキシ}-5-{[(2S,3S,4R,5R,6S)-3,4,5-トリス(アセチルオキシ)-6-メチルオキサン-2-イル]オキシ}オキサン-2-イル]メチル アセタート
  • [(2R,3S,4S,5R,6S)-3-(acetyloxy)-6-{[(2R,3R,4R,5R,6R)-3-(acetyloxy)-2-[(acetyloxy)methyl]-5-azido-6-[3-(2,2,2-trifluoroacetamido)propoxy]oxan-4-yl]oxy}-4-{[(2R,3R,4R,5R,6R)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]-3-acetamidooxan-2-yl]oxy}-5-{[(2S,3S,4R,5R,6S)-3,4,5-tris(acetyloxy)-6-methyloxan-2-yl]oxy}oxan-2-yl]methyl acetate
Other name (1):
  • 1-O-[3-(Trifluoroacetylamino)propyl]-2-azido-3-O-[2-O-(2-O,3-O,4-O-triacetyl-α-L-fucopyranosyl)-3-O-[2-(acetylamino)-3-O,4-O,6-O-triacetyl-2-deoxy-α-D-galactopyranosyl]-4-O,6-O-diacetyl-α-D-galactopyranosyl]-4-O,6-O-diacetyl-2-deoxy-β-D-galactopyranose
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