基本情報
- CAS
27597-77-9- 標準SMILES
CN(C)c1ccc(N=Nc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)cc2)cc1- InChIKey
PKTBUSPVTXIOCN-QHIUXXQWSA-N- 分子式
- C26H35N3O11
- 平均分子量
- 565.6 g/mol
- 単同位体質量
- 565.22715894
概要
4-{[4-(dimethylamino)phenyl]diazenyl}phenyl-beta-lactoside is a glycoside comprising beta-lactose having a p-(p-dimethylaminophenylazo)phenyl group at the 1-position. It has a role as a dye. It is a glycoside, a monoazo compound and a disaccharide derivative.
名称と識別子
- 優先名称
- beta-D-Glucopyranoside, 4-((4-(dimethylamino)phenyl)azo)phenyl 4-O-beta-D-galactopyranosyl-
- IUPAC
- (2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-6-[4-[[4-(dimethylamino)phenyl]diazenyl]phenoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
- 英語名
- 4-(4-Dimethylaminophenylazo) beta-lactoside
- 分子式
- C26H35N3O11
- 分子量
- 565.57
名称と別名
27597-77-9DTXSID201127805beta-D-Glucopyranoside, 4-((4-(dimethylamino)phenyl)azo)phenyl 4-O-beta-D-galactopyranosyl-RefChem:1079662DTXCID301559308Lac Dye4-(4-Dimethylaminophenylazo) beta-lactoside4-{[4-(dimethylamino)phenyl]diazenyl}phenyl-beta-lactosideCHEBI:617104-{[4-(dimethylamino)phenyl]diazenyl}phenyl 4-O-beta-D-galactopyranosyl-beta-D-glucopyranosidep-(p-dimethylaminophenylazo)-phenyl-beta-lactoside(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-6-[4-[[4-(dimethylamino)phenyl]diazenyl]phenoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
名称をさらに表示
β-D-Glucopyranoside, 4-[[4-(dimethylamino)phenyl]azo]phenyl 4-O-β-D-galactopyranosyl- (9CI)
4-{[4-(dimethylamino)phenyl]diazenyl}phenyl beta-D-galactosyl-(1->4)-beta-D-glucoside4-{[4-(dimethylamino)phenyl]diazenyl}phenyl beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosideEpitope ID:142490orb1985902lac resin, C.I. natural red 25AKOS040752370Glucopyranoside, p-((p-(dimethylamino)phenyl)azo)phenyl 4-O-beta-D-galactopyranosyl-, beta-D-(2S,3R,4S,5R,6R)-2-(((2R,3S,4R,5R,6S)-6-(4-((E)-(4-(dimethylamino)phenyl)diazenyl)phenoxy)-4,5-dihydroxy-2-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
物性
構造計算による物性
- XLogP
- -0.5
- 極性表面積
- 206 Ų
- 水素結合供与体数
- 7
- 水素結合受容体数
- 14
- 回転可能結合数
- 9
- 重原子数
- 40
- 形式電荷
- 0
- 複雑度
- 794
物理化学的性質
- 沸点
- 850.725 · 850.725±65.00 °C(Press: 760.00 Torr)(predicted)
- 比重(密度)
- 1.564 · 1.564±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 酸解離定数(Pka)
- 12.606 · 12.606±0.70(predicted)
化学と産業
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補足説明
定義ChEBI: A glycoside comprising beta-lactose having a p-(p-dimethylaminophenylazo)phenyl group at the 1-position.
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