基本情報
- CAS
177855-99-1- 標準SMILES
CC(=O)N[C@H]1[C@H](Oc2ccc([N+](=O)[O-])cc2)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O- InChIKey
NXLTWNKLPSVELR-UOFGCEEZSA-N- 分子式
- C26H38N2O17
- 平均分子量
- 650.6 g/mol
- 単同位体質量
- 650.21704775
名称と識別子
- 優先名称
- 4-Nitrophenyl 2-acetamido-2-deoxy-4-O-[2-O-(alpha-L-fucopyranosyl)-beta-D-galactopyranosyl]-beta-D-glucopyranoside
- IUPAC
- N-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-(4-nitrophenoxy)oxan-3-yl]acetamide
- 英語名
- 4-Nitrophenyl2-acetamido-2-deoxy-4-O-[2-O-(a-L-fucopyranosyl)-b-D-galactopyranosyl]-b-D-glucopyranoside
- 分子式
- C26H38N2O17
- 分子量
- 650.58
名称と別名
177855-99-14-Nitrophenyl 2-acetamido-2-deoxy-4-O-[2-O-(alpha-L-fucopyranosyl)-beta-D-galactopyranosyl]-beta-D-glucopyranosideN-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-(4-nitrophenoxy)oxan-3-yl]acetamideN-[(2S,3R,4R,5S,6R)-5-{[(2S,3R,4S,5R,6R)-4,5-DIHYDROXY-6-(HYDROXYMETHYL)-3-{[(2S,3S,4R,5S,6S)-3,4,5-TRIHYDROXY-6-METHYLOXAN-2-YL]OXY}OXAN-2-YL]OXY}-4-HYDROXY-6-(HYDROXYMETHYL)-2-(4-NITROPHENOXY)OXAN-3-YL]ACETAMIDEDTXSID70745390EN049314-Nitrophenyl 2-acetamido-2-deoxy-4-O-[2-O-(a-L-fucopyranosyl)-b-D-galactopyranosyl]-b-D-glucopyranoside4-Nitrophenyl 2-Acetamido-2-deoxy-4-O-[2-O-alpha-L-fucopyranosyl)-beta-D-galactopyranosyl]-beta-D-glucopyranos4-Nitrophenyl 2-Acetamido-2-deoxy-4-O-[2-O-?-L-fucopyranosyl)-?-D-galactopyranosyl]-?-D-glucopyranoside4-Nitrophenyl 6-deoxy-alpha-L-galactopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosideFuc1-α-2Gal1-β-4GlcNAc-β-PNP4)-2-(acetylamino)-2-deoxy-beta-D-Glucopyranoside
名称をさらに表示
4-Nitrophenyl 2-Acetamido-2-deoxy-4-O-[2-O-α-L-fucopyranosyl)-β-D-galactopyranosyl]-β-D-glucopyranoside4-Nitrophenyl 2-acetamido-2-deoxy-4-O-[2-O-(α-L-fucopyranosyl)-β-D-galactopyranosyl]-β-D-glucopyranoside4-Nitrophenyl 2-Acetamido-2-deoxy-4-O-[2-O-alpha-L-fucopyranosyl)-beta-D-galactopyranosyl]-beta-D-glucopyranoside4-Nitrophenyl O-6-Deoxy-α-L-galactopyranosyl-(12)-O-β-D-galactopyranosyl-(14)-2-(acetylaMino)-2-deoxy-β-D-glucopyranosideβ-D-Glucopyranoside, 4-nitrophenyl O-6-deoxy-α-L-galactopyranosyl-(1→2)-O-β-D-galactopyranosyl-(1→4)-2-(acetylamino)-2-deoxy-4-Nitrophenyl O-6-deoxy-alpha-L-galactopyranosyl-(1-2)-O-beta-D-galactopyranosyl-(1-4)-2-(acetylamino)-2-deoxy-beta-D-GlucopyranosideN-((2S,3R,4R,5S,6R)-5-(((2S,3R,4S,5R,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-(((2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-6-(hydroxymethyl)-2-(4-nitrophenoxy)tetrahydro-2H-pyran-3-yl)acetamide
データベース識別子
- CAS
177855-99-1- PubChem CID
- 71307191
- DTXSID
DTXSID70745390- Nikkaji
- J1.930.470A
物性
構造計算による物性
- XLogP
- -3.6
- 極性表面積
- 292 Ų
- 水素結合供与体数
- 9
- 水素結合受容体数
- 17
- 回転可能結合数
- 9
- 重原子数
- 45
- 形式電荷
- 0
- 複雑度
- 982
物理化学的性質
- 融点
- 180 · 180-183°C
- 沸点
- 1003.2 · 1003.2±65.0 °C(Predicted)
- 比重(密度)
- 1.63 · 1.63±0.1 g/cm3(Predicted)
- 貯蔵温度
- -20 °C · -20°C Freezer, Under Inert Atmosphere
- 溶解性
- DMSO、水
- 外見
- 個体
- 酸解離定数(Pka)
- 12.55 · 12.55±0.70(Predicted)
- 色
- 白い
化学的性質
化学的特性White Solid
化学と産業
応用分野
使用4-Nitrophenyl 2-Acetamido-2-deoxy-4-O-[2-O-α-L-fucopyranosyl)-β-D-galactopyranosyl]-β-D-glucopyranoside (cas# 177855-99-1) is a compound useful in organic synthesis.
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