Chem
J-GLOBAL ID:200907020953998387
Nikkaji number:J2.075.514H
1-O-(5-Azidopentyl)-3-O-(2-O-α-D-mannopyranosyl-α-D-mannopyranosyl)-α-D-mannopyranose
1-O-(5-アジドペンチル)-3-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-マンノピラノース
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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:
C23 H41 N[N-][N+]O16
Molecular formula furigana:
C23-H41-N3-O16
Molecular weight:
615.586
InChI:
InChI=1S/C23H41N3O16/c24-26-25-4-2-1-3-5-37-21-18(36)19(14(32)11(8-29)38-21)41-23-20(16(34)13(31)10(7-28)40-23)42-22-17(35)15(33)12(30)9(6-27)39-22/h9-23,27-36H,1-8H2/t9-,10-,11-,12-,13-,14-,15+,16+,17+,18+,19+,20+,21+,22-,23-/m1/s1
InChI key:
TXZRGESFZNFIFE-WVYDNZJNSA-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](CO)O[C@H](OCCCCCN=[N+]=[N-])[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-(2-O-α-D-マンノピラノシル-α-D-マンノピラノシル)-α-D-マンノピラノース
(2R,3S,4S,5S,6R)-2-{[(2R,3S,4S,5S,6R)-2-{[(2S,3S,4S,5R,6R)-2-[(5-アジドペンチル)オキシ]-3,5-ジヒドロキシ-6-(ヒドロキシメチル)オキサン-4-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,5R,6R)-2-[(5-azidopentyl)oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-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-(2-O-α-D-mannopyranosyl-α-D-mannopyranosyl)-α-D-mannopyranose
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