96597-16-9 (4,6-亚乙基-对硝基苯-Α-D-麦芽七糖苷,EPS)

CAS号:
96597-16-9
中文名称:
4,6-亚乙基-对硝基苯-Α-D-麦芽七糖苷
英文名称:
EPS
分子式:
C50H77NO38
分子量:
1300.1

4,6-亚乙基-对硝基苯-Α-D-麦芽七糖苷(96597-16-9)名称与标识符

名称

中文别名:
4,6-亚乙基-对硝基苯-α -D-麦芽七糖苷;4,6-亚乙基-对硝基苯-α-D-麦芽七糖苷(EPS-PNP-G7或EPS);4-硝基苯基 O-4,6-O-亚乙基-alpha-D-吡喃葡萄糖基-(1→4)-O-alpha-D-吡喃葡萄糖基-(1→4)-O-alpha-D-吡喃葡萄糖基-(1→4)-O-alpha-D-吡喃葡萄糖基-(1→4)-O-alpha-D-吡喃葡萄糖基-(1→4)-O-alpha-D-吡喃葡萄糖基-(1→4)-alpha-D-吡喃葡萄糖苷;4,6-亚乙基-4-硝基苯基-α-D-麦芽七糖苷;4,6-亚乙基-对硝基苯-Α-D-麦芽七糖苷;4-硝基苯基 O-4,6-O-亚乙基-ALPHA-D-吡喃葡萄糖基-(1-4)-O-ALPHA-D-吡喃葡萄糖基-(1-4)-O-ALPHA-D-吡喃葡萄糖基-(1-4)-O-ALPHA-D-吡喃葡萄糖基-(1-4)-O-ALPHA-D-吡喃葡萄糖基-(1-4)-O-ALPHA-D-吡喃葡萄糖基-(1-4)-ALPHA-D-吡喃葡萄糖苷;
英文别名:
4)-O-a-D-glucopyranosyl-(1&r;4)-O-a-D-glucopyranosyl-(1®Ethylidene-4-nitrophenyl-a-D-Maltoheptaoside;4-Nitrophenyl O-4,6-O-ethylidene-alpha-D-glucopyranosyl-(1-4)-O-alpha-D-glucopyranosyl-(1-4)-O-alpha-D-glucopyranosyl-(1-4)-O-alpha-D-glucopyranosyl-(1-4)-O-alpha-D-glucopyranosyl-(1-4)-O-alpha-D-glucopyranosyl-(1-4)-alpha-D-glucopyranoside;4-Nitrophenyl 4,6-ethylidene-a-D-maltoheptaoside;4,6-Ethylidene-4-nitrophenyl-α-D-maltoheptaoside, 90%;4-Nitrophenyl O-4,6-O-ethylidene-α-D-glucopyranosyl-(1→4)-O-α-D-glucopyranosyl-(1→4)-O-α-D-glucopyranosyl-(1→4)-O-α-D-glucopyranosyl-(1→4)-O-α-D-glucopyranosyl-(1→4)-O-α-D-glucopyranosyl-(1→4)-α-D-glucopyranoside (ACI);D;Pyrano[3,2-d]-1,3-dioxin, α-D-glucopyranoside deriv. (ZCI);EPS;EPS (oligosaccharide);G76496;96597-16-9;CS-0066482;HY-112835;(4aR,6R,7R,8R,8aS)-6-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol;Maltoheptaose-PNP;4-Nitrophenyl O-4,6-O-ethylidene-α-D-glucopyranosyl-(1→4)-O-α-D-glucopyranosyl-(1→4)-O-α-D-glucopyranosyl-(1→4)-O-α-D-glucopyranosyl-(1→4)-O-α-D-glucopyranosyl-(1→4)-O-α-D-glucopyranosyl-(1→4)-α-D-glucopyranoside;α-D-Glucopyranoside, 4-nitrophenyl O-4,6-O-ethylidene-α-D-glucopyranosyl-(1→4)-O-α-D-glucopyranosyl-(1→4)-O-α-D-glucopyranosyl-(1→4)-O-α-D-glucopyranosyl-(1→4)-O-α-D-glucopyranosyl-(1→4)-O-α-D-glucopyranosyl-(1→4)-;

标识符

InChIKey:
QOGJBGFYMYQFNE-SECAJZLMSA-N
Inchi:
1S/C50H77NO38/c1-13-74-12-22-43(75-13)29(64)36(71)50(83-22)89-42-21(11-57)82-49(35(70)28(42)63)88-41-20(10-56)81-48(34(69)27(41)62)87-40-19(9-55)80-47(33(68)26(40)61)86-39-18(8-54)79-46(32(67)25(39)60)85-38-17(7-53)78-45(31(66)24(38)59)84-37-16(6-52)77-44(30(65)23(37)58)76-15-4-2-14(3-5-15)51(72)73/h2-5,13,16-50,52-71H,6-12H2,1H3/t13?,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44+,45-,46-,47-,48-,49-,50-/m1/s1
SMILES:
O([C@@H]1[C@H](O)[C@@H](O)[C@@H]2OC(OC[C@H]2O1)C)[C@H]1[C@H](O)[C@@H](O)[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](OC7C=CC([N+](=O)[O-])=CC=7)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)O[C@@H]1CO

4,6-亚乙基-对硝基苯-Α-D-麦芽七糖苷(96597-16-9)物化性质

实验特性

  • 溶解度 : 略溶 (21 g/L) (25 ºC),
  • 密度 : 1.80±0.1 g/cm3 (20 ºC 760 Torr),

计算特性

  • 精确分子量 : 1299.4123570g/mol
  • 氢键供体数量 : 20
  • 氢键受体数量 : 38
  • 可旋转化学键数量 : 20
  • 同位素质量 : 1299.4123570g/mol
  • 重原子数量 : 89
  • 复杂度 : 2190
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 35
  • 不确定原子立构中心数量 : 1
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : -12.5
  • 拓扑分子极性表面积 : 598Ų

4,6-亚乙基-对硝基苯-Α-D-麦芽七糖苷(96597-16-9)安全信息

4,6-亚乙基-对硝基苯-Α-D-麦芽七糖苷(96597-16-9)推荐厂家 更多厂家(12)

4,6-亚乙基-对硝基苯-Α-D-麦芽七糖苷(96597-16-9)合成路线

合成路线:1 步
参考文献:
Oligoglucoside derivatives
, Federal Republic of Germany, , ,
合成路线:1 步
参考文献:
Preparation of oligoglucoside and derivatives as substrates for determination of α-amylase
, Japan, , ,