127783-56-6 (D-葡萄糖,O-(N-乙酰基-a-神经氨酸基)-(2-6)-O-[O-(N-乙酰基-a-神经氨酸基)-(2-3)-b-D-吡喃半乳糖基-(1-3)]-O-2-(乙酰氨基)-2-脱氧-b-D-吡喃葡萄糖基-(1-3)-O-b-D-吡喃半乳糖基-(1-4)-O-[6-脱氧-a-L-吡喃半乳糖基-(1-3)]-,D-Glucose, O-(N-acetyl-a-neuraminosyl)-(2®6)-O-[O-(N-acetyl-a-neuraminosyl)-(2®3)-b-D-galactopyranosyl-(1®3)]-O-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1®3)-O-b-D-galactopyranosyl-(1®4)-O-[6-deoxy-a-L-galactopyranosyl-(1®3)]-)

CAS号:
127783-56-6
中文名称:
D-葡萄糖,O-(N-乙酰基-a-神经氨酸基)-(2-6)-O-[O-(N-乙酰基-a-神经氨酸基)-(2-3)-b-D-吡喃半乳糖基-(1-3)]-O-2-(乙酰氨基)-2-脱氧-b-D-吡喃葡萄糖基-(1-3)-O-b-D-吡喃半乳糖基-(1-4)-O-[6-脱氧-a-L-吡喃半乳糖基-(1-3)]-
英文名称:
D-Glucose, O-(N-acetyl-a-neuraminosyl)-(2®6)-O-[O-(N-acetyl-a-neuraminosyl)-(2®3)-b-D-galactopyranosyl-(1®3)]-O-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1®3)-O-b-D-galactopyranosyl-(1®4)-O-[6-deoxy-a-L-galactopyranosyl-(1®3)]-
分子式:
C53H89N3O39
分子量:
1392.2704808712

D-葡萄糖,O-(N-乙酰基-a-神经氨酸基)-(2-6)-O-[O-(N-乙酰基-a-神经氨酸基)-(2-3)-b-D-吡喃半乳糖基-(1-3)]-O-2-(乙酰氨基)-2-脱氧-b-D-吡喃葡萄糖基-(1-3)-O-b-D-吡喃半乳糖基-(1-4)-O-[6-脱氧-a-L-吡喃半乳糖基-(1-3)]-(127783-56-6)名称与标识符

名称

英文别名:
D-Glucose, O-(N-acetyl-a-neuraminosyl)-(2®Neu5Aca2-3Galb1-3GlcN(Neu5Aca2-6)(Fuca1-4)Acb1-3Galb1-4Glc;3)]-O-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1®3)-b-D-galactopyranosyl-(1®3)-O-b-D-galactopyranosyl-(1®5-(acetylamino)-3,5-dideoxynon-2-ulopyranonosyl-(2->3)hexopyranosyl-(1->3)-[4-(acetylamino)-2,4-dideoxyoctopyranosyl-(1->6)]-2-(acetylamino)-2-deoxyhexopyranosyl-(1->3)hexopyranosyl-(1->4)-[6-deoxyhexopyranosyl-(1->3)]hexose;O-(N-acetyl-alpha-neuraminosyl)-(2->6)-O-[O-(N-acetyl-alpha-neuraminosyl)-(2->3)-beta-delta-galactopyranosyl-(1->3)]-O-2-(acetylamino)-2-deoxy-beta-delta-glucopyranosyl-(1->3)-O-beta-delta-galactopyranosyl-(1->4)-O-[6-deoxy-alpha-L-galactopyranosyl-(1->3)]- D-Glucose;127783-56-6;O-(N-acetyl-alpha-neuraminosyl)-(2->6)-O-[O-(N-acetyl-alpha-neuraminosyl)-(2->3)-beta-D-galactopyranosyl-(1->3)]-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->3)-O-beta-D-galactopyranosyl-(1->4)-O-[6-deoxy-alpha-L-galactopyranosyl-(1->3)]- D-Glucose;

标识符

InChIKey:
KJKXUFHSXFKOSF-UHFFFAOYSA-N
Inchi:
1S/C53H89N3O39/c1-14-31(72)37(78)38(79)49(85-14)90-41(22(70)9-59)42(23(71)10-60)91-50-39(80)46(34(75)24(11-61)86-50)93-48-30(56-17(4)65)44(36(77)26(88-48)13-84-27-5-18(66)28(54-15(2)63)43(89-27)32(73)20(68)7-57)92-51-40(81)47(35(76)25(12-62)87-51)95-53(52(82)83)6-19(67)29(55-16(3)64)45(94-53)33(74)21(69)8-58/h9,14,18-51,57-58,60-62,66-81H,5-8,10-13H2,1-4H3,(H,54,63)(H,55,64)(H,56,65)(H,82,83)
SMILES:
O(C1C(C(C(C(CO)O1)O)OC1(C(=O)O)CC(C(C(C(C(CO)O)O)O1)NC(C)=O)O)O)C1C(C(COC2CC(C(C(C(C(CO)O)O)O2)NC(C)=O)O)OC(C1NC(C)=O)OC1C(C(OC(C(CO)O)C(C(C=O)O)OC2C(C(C(C(C)O2)O)O)O)OC(CO)C1O)O)O

D-葡萄糖,O-(N-乙酰基-a-神经氨酸基)-(2-6)-O-[O-(N-乙酰基-a-神经氨酸基)-(2-3)-b-D-吡喃半乳糖基-(1-3)]-O-2-(乙酰氨基)-2-脱氧-b-D-吡喃葡萄糖基-(1-3)-O-b-D-吡喃半乳糖基-(1-4)-O-[6-脱氧-a-L-吡喃半乳糖基-(1-3)]-(127783-56-6)物化性质

实验特性

  • PSA : 677.26
  • 折射率 : 1.667
  • 沸点 : 1703.9°Cat760mmHg
  • 闪点 : 984.3°C
  • 密度 : 1.72

计算特性

  • 精确分子量 : 1391.50727
  • 氢键供体数量 : 25
  • 氢键受体数量 : 39
  • 可旋转化学键数量 : 30
  • 同位素质量 : 1391.5073200g/mol
  • 重原子数量 : 95
  • 复杂度 : 2450
  • 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 : 36
  • 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) : -14.2
  • 拓扑分子极性表面积 : 677Ų