Chem
J-GLOBAL ID：200907062079143753   Nikkaji number：J2.075.512A

1-O-(5-Azidopentyl)-3-O,6-O-bis[2-O-(2-O-α-D-mannopyranosyl-α-D-mannopyranosyl)-α-D-mannopyranosyl]-α-D-mannopyranose

1-O-(5-アジドペンチル)-3-O,6-O-ビス[2-O-(2-O-α-D-マンノピラノシル-α-D-マンノピラノシル)-α-D-マンノピラノシル]-α-D-マンノピラノース
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： C47H81N[N-][N+]O36
Molecular formula furigana： C47-H81-N3-O36
Molecular weight： 1264.150
InChI： InChI=1S/C47H81N3O36/c48-50-49-4-2-1-3-5-73-41-35(72)36(82-45-40(32(69)25(62)16(9-54)78-45)86-47-39(31(68)24(61)18(11-56)80-47)84-43-34(71)28(65)21(58)14(7-52)76-43)26(63)19(81-41)12-74-44-37(29(66)22(59)15(8-53)77-44)85-46-38(30(67)23(60)17(10-55)79-46)83-42-33(70)27(64)20(57)13(6-51)75-42/h13-47,51-72H,1-12H2/t13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27+,28+,29+,30+,31+,32+,33+,34+,35+,36+,37+,38+,39+,40+,41+,42-,43-,44+,45-,46-,47-/m1/s1
InChI key： NGSJUDBTLBKZCD-KWHZMUQVSA-N
SMILES： OC[C@H]1O[C@H](O[C@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O[C@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2OC[C@H]2O[C@H](OCCCCCN=[N+]=[N-])[C@@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3)：
  • 1-O-(5-アジドペンチル)-3-O,6-O-ビス[2-O-(2-O-α-D-マンノピラノシル-α-D-マンノピラノシル)-α-D-マンノピラノシル]-α-D-マンノピラノース
  • (2R,3S,4S,5S,6R)-2-{[(2R,3S,4S,5S,6R)-2-{[(2S,3S,4S,5S,6R)-2-{[(2R,3R,4S,5S,6S)-6-[(5-アジドペンチル)オキシ]-4-{[(2R,3S,4S,5S,6R)-3-{[(2R,3S,4S,5S,6R)-4,5-ジヒドロキシ-6-(ヒドロキシメチル)-3-{[(2R,3S,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}-4,5-ジヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}-3,5-ジヒドロキシオキサン-2-イル]メトキシ}-4,5-ジヒドロキシ-6-(ヒドロキシメチル)オキサン-3-イル]オキシ}-4,5-ジヒドロキシ-6-(ヒドロキシメチル)オキサン-3-イル]オキシ}-6-(ヒドロキシメチル)オキサン-3,4,5-トリオール
  • (2R,3S,4S,5S,6R)-2-{[(2R,3S,4S,5S,6R)-2-{[(2S,3S,4S,5S,6R)-2-{[(2R,3R,4S,5S,6S)-6-[(5-azidopentyl)oxy]-4-{[(2R,3S,4S,5S,6R)-3-{[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,5-dihydroxyoxan-2-yl]methoxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (1)：
  • 1-O-(5-Azidopentyl)-3-O,6-O-bis[2-O-(2-O-α-D-mannopyranosyl-α-D-mannopyranosyl)-α-D-mannopyranosyl]-α-D-mannopyranose
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