18409-15-9 (二唾液酸乳糖,D-Glucopyranose,O-(N-acetyl-a-neuraminosyl)-(2®8)-O-(N-acetyl-a-neuraminosyl)-(2®3)-O-b-D-galactopyranosyl-(1®4)- (9CI))

CAS号:
18409-15-9
中文名称:
二唾液酸乳糖
英文名称:
D-Glucopyranose,O-(N-acetyl-a-neuraminosyl)-(2®8)-O-(N-acetyl-a-neuraminosyl)-(2®3)-O-b-D-galactopyranosyl-(1®4)- (9CI)
分子式:
C34H56N2O27
分子量:
924.805653572083

二唾液酸乳糖(18409-15-9)名称与标识符

名称

中文别名:
二唾液酸乳糖;
英文别名:
5-acetamido-6-[2-[5-acetamido-2-carboxy-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl]oxy-1,3-dihydroxypropyl]-2-[3,5-dihydroxy-2-(hydroxymethyl)-6-[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan;ALPHA-NEU5AC-[2->8]-ALPHA-NEU5AC-[2->3]-BETA-D-GAL-[1->4]-D-GLC SODIUM SALT;DISIALYLLACTOSE;3)-O-b-D-galactopyranosyl-(1®4)- (9CI);5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->8)-5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->4)-D-glucopyranose;8)-O-(N-acetyl-a-neuraminosyl)-(2®D-Glucopyranose,O-(N-acetyl-a-neuraminosyl)-(2®disialyllactose sodium;DISIALYLLACTOSE SODIUM SALT;Di-(N-acetylneuramin)lactose;DI-[N-ACETYLNEURAMIN]LACTOSE SODIUM SALT;α-neu5ac-(2→8)-α-neu5ac-(2→3)-β-d-gal-(1→4)-d-glc;disialyllactose sodium salt from bovine colostrum;Di-(N-acetylneuramin)lactose, α-Neu5Ac-(2-8)-α-Neu5Ac-(2-3)-β-D-Gal-(1-4)-D-Glc;(2S,4S,5R,6R)-5-acetamido-6-[(1R,2R)-2-[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxy-propyl]-2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-oxan-4-yl]oxy-4-hydroxy-oxane-2-carboxylic acid;Disialyllactose sodium salt from bovine colostrum, ~75% (HPAE/PAD);5-acetamido-6-[2-[5-acetamido-2-carboxy-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl]oxy-1,3-dihydroxypropyl]-2-[3,5-dihydroxy-2-(hydroxymethyl)-6-[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-4-hydroxyoxane-2-carboxylic acid;DTXSID60408503;18409-15-9;

标识符

InChIKey:
IESOVNOGVZBLMG-UHFFFAOYSA-N
Inchi:
1S/C34H56N2O27/c1-9(41)35-17-11(43)3-33(31(53)54,61-26(17)19(46)13(45)5-37)60-15(7-39)21(48)27-18(36-10(2)42)12(44)4-34(62-27,32(55)56)63-28-20(47)14(6-38)58-30(24(28)51)59-25-16(8-40)57-29(52)23(50)22(25)49/h11-30,37-40,43-52H,3-8H2,1-2H3,(H,35,41)(H,36,42)(H,53,54)(H,55,56)
SMILES:
O1C(C(=O)O)(CC(C(C1C(C(CO)OC1(C(=O)O)CC(C(C(C(C(CO)O)O)O1)NC(C)=O)O)O)NC(C)=O)O)OC1C(C(CO)OC(C1O)OC1C(CO)OC(C(C1O)O)O)O

二唾液酸乳糖(18409-15-9)物化性质

实验特性

  • 折射率 : 1.677
  • 沸点 : 1415.3°Cat760mmHg
  • 闪点 : 809.7°C
  • 密度 : 1.78

计算特性

  • 精确分子量 : 924.30704451g/mol
  • 氢键供体数量 : 18
  • 氢键受体数量 : 27
  • 可旋转化学键数量 : 18
  • 同位素质量 : 924.30704451g/mol
  • 重原子数量 : 63
  • 复杂度 : 1570
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 22
  • 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) : -9.7
  • 拓扑分子极性表面积 : 481Ų

二唾液酸乳糖(18409-15-9)安全信息