4-Nitrophenyl 4,6-O-benzylidene-2-O-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)-beta-D-glucopyranoside
基本情報
- CAS
26255-68-5- 標準SMILES
CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](Oc3ccc([N+](=O)[O-])cc3)O[C@@H]3COC(c4ccccc4)O[C@H]3[C@@H]2O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O- InChIKey
APYFCGBWFSVXEH-PSKLNEOYSA-N- 分子式
- C33H37NO17
- 平均分子量
- 719.6 g/mol
- 単同位体質量
- 719.20614871
名称と識別子
- 優先名称
- 4-Nitrophenyl 4,6-O-benzylidene-2-O-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)-beta-D-glucopyranoside
- IUPAC
- [(2R,3R,4S,5R,6S)-6-[[(4aR,6S,7R,8S,8aS)-8-hydroxy-6-(4-nitrophenoxy)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-3,4,5-triacetyloxyoxan-2-yl]methyl acetate
- 英語名
- 4-Nitrophenyl2-O-(2,3,4,6-tetra-O-acetyl-b-D-glucopyranosyl)-4,6-O-benzylidene-b-D-glucopyranoside
- 分子式
- C33H37NO17
- 分子量
- 719.64
名称と別名
26255-68-54-NITROPHENYL 4,6-O-BENZYLIDENE-2-O-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-BETA-D-GLUCOPYRANOSIDE[(2R,3R,4S,5R,6S)-6-[[(4aR,6S,7R,8S,8aS)-8-hydroxy-6-(4-nitrophenoxy)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-3,4,5-triacetyloxyoxan-2-yl]methyl acetate4-Nitrophenyl 2-O-(2,3,4,6-tetra-O-acetyl-b-D-glucopyranosyl)-4,6-O-benzylidene-b-D-glucopyranosideDTXSID90745392[(2R,3R,4S,5R,6S)-6-{[(4AR,6S,7R,8S,8AS)-8-HYDROXY-6-(4-NITROPHENOXY)-2-PHENYL-HEXAHYDRO-2H-PYRANO[3,2-D][1,3]DIOXIN-7-YL]OXY}-3,4,5-TRIS(ACETYLOXY)OXAN-2-YL]METHYL ACETATEEN064634-Nitrophenyl 2-O-(2-3-4-6-tetra-O-acetyl-beta-D-glucopyranosyl)-4-6-O-benzylidene-beta-D-glucopyranoside4-Nitrophenyl2-O-(2,3,4,6-tetra-O-acetyl-b-D-glucopyranosyl)-4,6-O-benzylidene-b-D-glucopyranosidep-Nitrophenyl 4,6-O-Benzylidene-2-O-β-D-glucopyranosyl-β-D-glucopyranoside 2',3',4',6'-Tetraacetate4-Nitrophenyl 2-O-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)-4,6-O-benzylidene-β-D-glucopyranoside4-Nitrophenyl 4,6-O-Benzylidene-2-O-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)-β-D-glucopyranoside
名称をさらに表示
Glucopyranoside, p-nitrophenyl 4,6-O-benzylidene-2-O-β-D-glucopyranosyl-, 2′,3′,4′,6′-tetraacetate, β-D-p-Nitrophenyl 4,6-O-benzylidene-2-O-beta-D-glucopyranosyl-beta-D-glucopyranoside 2',3',4',6'-tetraacetateGlucopyranoside, p-nitrophenyl 4,6-O-benzylidene-2-O-β-D-glucopyranosyl-, 2',3',4',6'-tetraacetate, β-D- (8CI)4-Nitrophenyl 4,6-O-Benzylidene-2-O-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)-β-D-glucopyranoside, CAS 26255-68-5
データベース識別子
- CAS
26255-68-5- PubChem CID
- 71307213
- DTXSID
DTXSID90745392
物性
構造計算による物性
- XLogP
- 1.7
- 極性表面積
- 227 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 17
- 回転可能結合数
- 14
- 重原子数
- 51
- 形式電荷
- 0
- 複雑度
- 1,230
物理化学的性質
- 沸点
- 808.2 · 808.2±65.0 °C(Predicted)
- 比重(密度)
- 1.45 · 1.45±0.1 g/cm3(Predicted)
- 溶解性
- クロロホルム、ジクロロメタン
- 外見
- 個体
- 酸解離定数(Pka)
- 12.36 · 12.36±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 4,6-O-Benzylidene-2-O-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)-β-D-glucopyranoside (cas# 26255-68-5) is a compound useful in organic synthesis.
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