115850-12-9 ((a-D-Glucopyranoside, 4-nitrophenylO-6-O-(phenylmethyl)-a-D-glucopyranosyl-(1®4)-O-a-D-glucopyranosyl-(1®4)-O-a-D-glucopyranosyl-(1®4)-O-a-D-glucopyranosyl-(1®4)-)

CAS号:
115850-12-9
英文名称:
a-D-Glucopyranoside, 4-nitrophenylO-6-O-(phenylmethyl)-a-D-glucopyranosyl-(1®4)-O-a-D-glucopyranosyl-(1®4)-O-a-D-glucopyranosyl-(1®4)-O-a-D-glucopyranosyl-(1®4)-
分子式:
C43H61NO28
分子量:
1039.93435645103

a-D-Glucopyranoside, 4-nitrophenylO-6-O-(phenylmethyl)-a-D-glucopyranosyl-(1®4)-O-a-D-glucopyranosyl-(1®4)-O-a-D-glucopyranosyl-(1®4)-O-a-D-glucopyranosyl-(1®4)-(115850-12-9)名称与标识符

名称

英文别名:
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-2-(4-nitrophenyl)-2,3-bis[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydro;4-nitrophenyl-O-(6-O-benzyl)-glucopyranosyl(1--4)-O-glucopyranosyl(1--4)-O-glucopyranosyl(1--4)-O-glucopyranosyl(1--4)-glucopyranoside;a-D-Glucopyranoside, 4-nitrophenylO-6-O-(phenylmethyl)-a-D-glucopyranosyl-(1®4)-O-a-D-glucopyranosyl-(1®4-Nitrophenyl 6(5)-O-benzylmaltapentaoside;4-Nitrophenyl-O-(6-O-benzyl)-glucopyranosyl(1-4)-O-glucopyranosyl(1-4)-O-glucopyranosyl(1-4)-O-glucopyranosyl(1-4)-glucopyranoside;4-NP 6-Obm;alpha-D-Glucopyranoside, 4-nitrophenyl-O-6-O-(phenylmethyl)-alpha-D-glucopyranosyl-(1-4)-O-alpha-D-glucopyranosyl-(1-4) O-alpha-D-glucopyranosyl-(1-4)-O-alpha-D-glucopyranosyl-(1-4)-;BG 5P;p-Nitrophenyl 6(5)-O-benzyl-alpha-maltopentaoside;DTXSID80151206;(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-2-(4-nitrophenyl)-2,3-bis[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-4-yl]oxyoxane-3,4,5-triol;115850-12-9;BG5P;

标识符

InChIKey:
GJASCJZEBANVKX-CQZBUOJGSA-N
Inchi:
1S/C43H61NO28/c45-10-19-24(49)28(53)32(57)39(64-19)69-37-36(68-40-33(58)31(56)27(52)23(67-40)15-63-14-16-4-2-1-3-5-16)22(13-48)71-43(17-6-8-18(9-7-17)44(61)62,72-42-35(60)30(55)26(51)21(12-47)66-42)38(37)70-41-34(59)29(54)25(50)20(11-46)65-41/h1-9,19-42,45-60H,10-15H2/t19-,20-,21-,22-,23-,24-,25-,26-,27-,28+,29+,30+,31+,32-,33-,34-,35-,36-,37+,38-,39-,40-,41-,42-,43-/m1/s1
SMILES:
O1[C@H](CO)[C@H]([C@@H]([C@H]([C@@]1(C1C=CC(=CC=1)[N+](=O)[O-])O[C@@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@@H](COCC2C=CC=CC=2)O1)O)O)O

a-D-Glucopyranoside, 4-nitrophenylO-6-O-(phenylmethyl)-a-D-glucopyranosyl-(1®4)-O-a-D-glucopyranosyl-(1®4)-O-a-D-glucopyranosyl-(1®4)-O-a-D-glucopyranosyl-(1®4)-(115850-12-9)物化性质

实验特性

  • PSA : 459.12
  • 沸点 : 1242.7°Cat760mmHg
  • 闪点 : 705.4°C
  • 密度 : 1.74

计算特性

  • 精确分子量 : 1039.33793
  • 氢键供体数量 : 16
  • 氢键受体数量 : 28
  • 可旋转化学键数量 : 17
  • 同位素质量 : 1039.338
  • 重原子数量 : 72
  • 复杂度 : 1680
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 25
  • 不确定原子立构中心数量 : 0
  • 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) : -6.9
  • 拓扑分子极性表面积 : 462Ų