基本情報
- CAS
1144040-11-8- 標準SMILES
CC(=O)N[C@H]1[C@H](OC[C@H]2O[C@H](Oc3ccc([N+](=O)[O-])cc3)[C@H](NC(C)=O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O- InChIKey
XLNAXKMQHIEVPS-LUBQLKINSA-N- 分子式
- C30H44N4O18
- 平均分子量
- 748.7 g/mol
- 単同位体質量
- 748.26506057
名称と識別子
- 優先名称
- 4-Nitrophenyl 2-Acetamido-3,6-di-O-(2-acetamido-2-deoxy-b-D-glucopyranosyl)-2-deoxy-A-D-galactopyranoside
- IUPAC
- N-[(2R,3R,4R,5S,6R)-2-[[(2R,3R,4R,5R,6R)-5-acetamido-4-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxy-6-(4-nitrophenoxy)oxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
- 英語名
- 4-Nitrophenyl 2-Acetamido-3,6-di-O-(2-acetamido-2-deoxy-β-D-glucopyranosyl) -2-deoxy-α-D-galactopyranoside
- 分子式
- C30H44N4O18
- 分子量
- 748.69
名称と別名
1144040-11-84-Nitrophenyl 2-Acetamido-3,6-di-O-(2-acetamido-2-deoxy-b-D-glucopyranosyl)-2-deoxy-A-D-galactopyranosideN-[(2R,3R,4R,5S,6R)-2-[[(2R,3R,4R,5R,6R)-5-acetamido-4-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxy-6-(4-nitrophenoxy)oxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide1-O-(4-Nitrophenyl)-3-O,6-O-bis(2-deoxy-2-acetylamino-beta-D-glucopyranosyl)-N-acetyl-alpha-D-galactosamineDTXSID30858192ON164814-Nitrophenyl 2-Acetamido-3,6-di-O-(2-acetamido-2-deoxy-beta-D-glucopyranosyl)-2-deoxy-alpha-D-galactopyranDB-253230GlcNAc-b(1-3){glcNAc-b(1-6)}galNAc-a(1-O)PNP4-Nitrophenyl 2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-[2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->6)]-2-acetamido-2-deoxy-alpha-D-galactopyranoside4-Nitrophenyl 2-Acetamido-3,6-di-O-(2-acetamido-2-deoxy-beta-D-glucopyranosyl) -2-deoxy-alpha-D-galactopyranoside4-Nitrophenyl O-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1-3)-O-[2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1-6)]-2-(acetylamino )-2-deoxy-a-D-galactopyranoside
物性
構造計算による物性
- XLogP
- -4.2
- 極性表面積
- 330 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
- 12
- 重原子数
- 52
- 形式電荷
- 0
- 複雑度
- 1,220
物理化学的性質
- 沸点
- 1186.5 · 1186.5±65.0 °C(Predicted)
- 比重(密度)
- 1.58 · 1.58±0.1 g/cm3(Predicted)
- 酸解離定数(Pka)
- 12.63 · 12.63±0.70(Predicted)
化学と産業
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BOC Sciences16314854226 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚香生物科技有限公司17754423994 · [email protected]
深圳市金赛途生物科技有限公司0755-23251735 13302967066 · [email protected]
济南思考化学有限公司0531-0000 · [email protected]
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