(2R,3S,4R,5R,6R)-3-[(2R,3R,4R,5S,6R)-3-azido-5-[(2R,3R,4S,5S,6S)-5-[(2R,3R,4R,5S,6R)-3-azido-6-(hydroxymethyl)-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-6-carboxy-3,4-bis(phenylmethoxy)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2R,3S,4R,5R,6S)-5-azido-2-(hydroxymethyl)-6-methoxy-4-phenylmethoxyoxan-3-yl]oxy-5-hydroxy-4-phenylmethoxyoxane-2-carboxylic acid
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
704210-18-4- 標準SMILES
CO[C@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@@H](C(=O)O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](C(=O)O)[C@@H](O[C@H]5O[C@H](CO)[C@@H](OCc6ccccc6)[C@H](OCc6ccccc6)[C@H]5N=[N+]=[N-])[C@H](OCc5ccccc5)[C@H]4OCc4ccccc4)[C@H](O)[C@H]3N=[N+]=[N-])[C@H](OCc3ccccc3)[C@H]2O)[C@H](OCc2ccccc2)[C@H]1N=[N+]=[N-]- InChIKey
TXIHVFUNROYPMX-BURRJYMMSA-N- 分子式
- C73H83N9O25
- 平均分子量
- 1,486.5 g/mol
- 単同位体質量
- 1,485.55000917
名称と識別子
- 優先名称
- (2R,3S,4R,5R,6R)-3-[(2R,3R,4R,5S,6R)-3-azido-5-[(2R,3R,4S,5S,6S)-5-[(2R,3R,4R,5S,6R)-3-azido-6-(hydroxymethyl)-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-6-carboxy-3,4-bis(phenylmethoxy)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2R,3S,4R,5R,6S)-5-azido-2-(hydroxymethyl)-6-methoxy-4-phenylmethoxyoxan-3-yl]oxy-5-hydroxy-4-phenylmethoxyoxane-2-carboxylic acid
- IUPAC
- (2R,3S,4R,5R,6R)-3-[(2R,3R,4R,5S,6R)-3-azido-5-[(2R,3R,4S,5S,6S)-5-[(2R,3R,4R,5S,6R)-3-azido-6-(hydroxymethyl)-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-6-carboxy-3,4-bis(phenylmethoxy)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2R,3S,4R,5R,6S)-5-azido-2-(hydroxymethyl)-6-methoxy-4-phenylmethoxyoxan-3-yl]oxy-5-hydroxy-4-phenylmethoxyoxane-2-carboxylic acid
- 英語名
- Fondaparinux sodiuM interMediate C
- 分子式
- C73H83N9O25
- 分子量
- 1486.51
名称と別名
FSC (N-1)FSCFONDAPARINUX SODIUM INTERMEDIATE C4)-2-azido-2-deoxy-3-O-(phenylmethyl)-alpha-D-glucopyranosideα-D-Glucopyranoside, methyl O-2-azido-2-deoxy-3,4-bis-O-(phenylmethyl)-α-D-glucopyranosyl-(1→4)-O-2,3-bis-O-(phenylmethyl)-β-D-glucopyranuronosyl-(1→4)-O-2-azido-2-deoxy-α-D-glucopyranosyl-(1→4)-O-3-O-(phenylmethyl)-α-L-idopyranuronosyl-(1→4)-2-azido-2-deα-D-Glucopyranoside,methylO-2-azido-2-deoxy-3,4-bis-O-(phenylmethyl)-α-D-glucopyranosyl-(1→4)-O-2,3-bis-O-(phenylmethyl)-β-D-glucopyranuronosyl-(1→4)-O-2-azido-2-deoxy-α-D-glucopyranosyl-(1→4)-O-3-O-(phenylmethyl)-α-L-idopyranuronosyl-(1→4)-2-azido-2-deoxα-D-Glucopyranoside, methyl O-2-azido-2-deoxy-3,4-bis-O-(phenylmethyl)-α-D-glucopyranosyl-(1→4)-O-2,3-bis-O-(phenylmethyl)-β-D-glucopyranuronosyl-(1→4)-O-2-azido-2-deoxy-α-D-glucopyranosyl-(1→4)-O-3-O-(phenylmethyl)-α-L-idopyranuronosyl-(1→4)-2-azido-2-deoxy-3-O-(phenylmethyl)
物性
構造計算による物性補完中
- XLogP
- 6.2
- 極性表面積
- 367 Ų
- 水素結合供与体数
- 7
- 水素結合受容体数
- 31
- 回転可能結合数
- 35
- 重原子数
- 107
- 形式電荷
- 0
- 複雑度
- 2,820
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…