4-Nitrophenyl O-(2-acetamido-2-deoxyglucopyranosyl)-(1-2)-O-(4-O-methylmannopyranosyl)-(1-6)-glucopyranoside
データを補完しています。しばらくしてからページを更新すると最新の内容を表示できます
基本情報
- CAS
131089-46-8- 標準SMILES
CO[C@H]1[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O[C@]2(c3ccc([N+](=O)[O-])cc3)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@@H]1CO- InChIKey
PWUYCPKVMQERHF-ITEYERCFSA-N- 分子式
- C27H40N2O18
- 平均分子量
- 680.6 g/mol
- 単同位体質量
- 680.22761243
概要
potential specific acceptor substrate for N-acetylglucosaminyltransferase-V; structure given in first source
名称と識別子
- 優先名称
- 4-Nitrophenyl O-(2-acetamido-2-deoxyglucopyranosyl)-(1-2)-O-(4-O-methylmannopyranosyl)-(1-6)-glucopyranoside
- IUPAC
- N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-2-[(2R,3S,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-5-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-(4-nitrophenyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxan-3-yl]acetamide
- 英語名
- 4-nitrophenyl O-(2- acetamido-2-deoxyglucopyranosyl)-(1-2)-O-(4-O-methylmannopyranosyl)-(1-6)-glucopyranoside
- 分子式
- C27H40N2O18
- 分子量
- 680.6091
名称と別名
4-Nadgmg131089-46-84-Nitrophenyl O-(2-acetamido-2-deoxyglucopyranosyl)-(1-2)-O-(4-O-methylmannopyranosyl)-(1-6)-glucopyranosideDTXSID20156891RefChem:100114DTXCID6079382N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-2-[(2R,3S,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-5-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-(4-nitrophenyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxan-3-yl]acetamide4-Nitrophenyl O-(2-acetamido-2-deoxy-beta-D-glucopyranosyl)-(1-2)-O-(4-O-methyl-alpha-D-mannopyranosyl)-(1-6)-beta-D-glucopyranoside4-Nitrophenyl O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1-2)-O-3,6-di-O-acetyl-4-O-methyl-alpha-D-mannopyranosyl-(1-6)-beta-D-Glucopyranoside 2,3-diacetate2-Acetamido-2-deoxy-beta-D-glucopyranosyl-(1->2)-4-O-methyl-alpha-D-mannopyranosyl 1-C-(4-nitrophenyl)-beta-D-glucopyranoside4-NITROPHENYL O-(2- ACETAMIDO-2-DEOXYGLUCOPYRANOSYL)-(1-2)-O-(4-O-METHYLMANNOPYRANOSYL)-(1-6)-GLUCOPYRANOSIDEbeta-D-Glucopyranoside, 4-nitrophenyl O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1-2)-O-3,6-di-O-acetyl-4-O-methyl-alpha-D-mannopyranosyl-(1-6)-, 2,3-diacetate
名称をさらに表示
β-D-Glucopyranoside, 4-nitrophenyl O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→2)-O-4-O-methyl-α-D-mannopyranosyl-(1→6)-
データベース識別子
- CAS
131089-46-8- PubChem CID
- 3081779
- DTXSID
DTXSID20156891
物性
構造計算による物性補完中
- XLogP
- -4.7
- 極性表面積
- 312 Ų
- 水素結合供与体数
- 10
- 水素結合受容体数
- 18
- 回転可能結合数
- 10
- 重原子数
- 47
- 形式電荷
- 0
- 複雑度
- 1,050
物理化学的性質
- 沸点
- 1026 · 1026.0±65.0 °C(Predicted)
- 比重(密度)
- 1.61 · 1.61±0.1 g/cm3(Predicted)
- 酸解離定数(Pka)
- 12.53 · 12.53±0.70(Predicted)
関連反応
0 件
現在のフィルター条件では反応記録がありません。
化合物ノート
読み込み中…