Chem
J-GLOBAL ID:200907082248576827
Nikkaji number:J1.867.241C
3α-[(2,6-Diamino-2,6-dideoxy-α-D-glucopyranosyl)oxy]-2β-[(3-amino-3-deoxy-β-D-glucopyranosyl)oxy]-4β,6β-diaminocyclohexane-1α-ol
3α-[(2,6-ジアミノ-2,6-ジデオキシ-α-D-グルコピラノシル)オキシ]-2β-[(3-アミノ-3-デオキシ-β-D-グルコピラノシル)オキシ]-4β,6β-ジアミノシクロヘキサン-1α-オール
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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:
C18 H37 N5 O10
Molecular formula furigana:
C18-H37-N5-O10
Molecular weight:
483.519
InChI:
InChI=1S/C18H37N5O10/c19-2-6-12(27)13(28)9(23)17(30-6)32-15-5(21)1-4(20)10(25)16(15)33-18-14(29)8(22)11(26)7(3-24)31-18/h4-18,24-29H,1-3,19-23H2/t4-,5+,6-,7-,8+,9-,10+,11-,12-,13-,14-,15-,16-,17-,18+/m1/s1
InChI key:
NFBWMUNZOXWDAP-BXZIPUBNSA-N
SMILES:
NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](N)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O
Systematic name (3):
3α-[(2,6-ジアミノ-2,6-ジデオキシ-α-D-グルコピラノシル)オキシ]-2β-[(3-アミノ-3-デオキシ-β-D-グルコピラノシル)オキシ]-4β,6β-ジアミノシクロヘキサン-1α-オール
(2R,3S,4R,5R,6R)-5-アミノ-2-(アミノメチル)-6-{[(1R,2R,3S,4R,6S)-4,6-ジアミノ-2-{[(2S,3R,4S,5S,6R)-4-アミノ-3,5-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-ヒドロキシシクロヘキシル]オキシ}オキサン-3,4-ジオール
(2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(1R,2R,3S,4R,6S)-4,6-diamino-2-{[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-hydroxycyclohexyl]oxy}oxane-3,4-diol
Other name (1):
3α-[(2,6-Diamino-2,6-dideoxy-α-D-glucopyranosyl)oxy]-2β-[(3-amino-3-deoxy-β-D-glucopyranosyl)oxy]-4β,6β-diaminocyclohexane-1α-ol
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