34852-43-2 ((alpha-L-Fuc-(1->2)-beta-D-Gal-(1->4)-D-Glc-(3->1)-alpha-L-Fuc)

CAS号:
34852-43-2
英文名称:
alpha-L-Fuc-(1->2)-beta-D-Gal-(1->4)-D-Glc-(3->1)-alpha-L-Fuc
分子式:
C24H42O19
分子量:
634.578890323639

alpha-L-Fuc-(1->2)-beta-D-Gal-(1->4)-D-Glc-(3->1)-alpha-L-Fuc(34852-43-2)名称与标识符

名称

英文别名:
alpha-L-Fuc-(1->2)-beta-D-Gal-(1->4)-D-Glc-(3->1)-alpha-L-Fuc;difucosyllactose;Fuc(alpha1-2)Gal(beta1-4)[Fuc(alpha1-3)]Glc;lactodifucotetraose;LDFT;O-alpha-L-Fucopyranosyl-(1->2)-O-beta-D-galactopyranosyl-(1->4)-O-3)>-D-glucose;O-alpha-L-Fucopyranosyl-(1->2)-O-beta-D-galactopyranosyl-(1->4)-O-[alpha-L-fucopyranosyl-(1->3)]-D-glucose;.BETA.-D-GLUCOPYRANOSE, O-6-DEOXY-.ALPHA.-L-GALACTOPYRANOSYL-(1->2)-O-.BETA.-D-GALACTOPYRANOSYL-(1->4)-O-(6-DEOXY-.ALPHA.-L-GALACTOPYRANOSYL-(1->3))-;O-6-deoxy-alpha-L-galactopyranosyl-(1->2)-o-beta-D-galactopyranosyl-(1->4)-O-(6-deoxy-alpha-L-galactopyranosyl-(1->3))-beta-D-glucopyranose;alpha-L-fucopyranosyl-(1->3)-[alpha-L-fucopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->4)]-beta-D-glucopyranose;34852-43-2;O-6-DEOXY-.ALPHA.-L-GALACTOPYRANOSYL-(1->2)-O-.BETA.-D-GALACTOPYRANOSYL-(1->4)-O-(6-DEOXY-.ALPHA.-L-GALACTOPYRANOSYL-(1->3))-.BETA.-D-GLUCOPYRANOSE;6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)-beta-D-galacto-hexopyranosyl-(1->4)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)]-beta-D-gluco-hexopyranose;beta-D-Glucopyranose, O-6-deoxy-alpha-L-galactopyranosyl-(1->2)-o-beta-D-galactopyranosyl-(1->4)-O-(6-deoxy-alpha-L-galactopyranosyl-(1->3))-;CHEBI:146804;Fuc(a1-2)Gal(b1-4)[Fuc(a1-3)]b-Glc;alpha-L-Fucp-(1->3)-[alpha-L-Fucp-(1->2)-beta-D-Galp-(1->4)]-beta-D-Glcp;(2S,3S,4R,5S,6S)-2-[(2S,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6R)-5,6-Dihydroxy-2-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol;6-deoxy-alpha-L-galactopyranosyl-(1->3)-[6-deoxy-alpha-L-galactopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->4)]-beta-D-glucopyranose;UNII-5258BH9L9F;WURCS=2.0/3,4,3/[a2122h-1b_1-5][a1221m-1a_1-5][a2112h-1b_1-5]/1-2-3-2/a3-b1_a4-c1_c2-d1;5258BH9L9F;

标识符

InChIKey:
LKOHREGGXUJGKC-GXSKDVPZSA-N
Inchi:
1S/C24H42O19/c1-5-9(27)12(30)15(33)22(37-5)42-19-17(35)21(36)39-8(4-26)18(19)41-24-20(14(32)11(29)7(3-25)40-24)43-23-16(34)13(31)10(28)6(2)38-23/h5-36H,3-4H2,1-2H3/t5-,6-,7+,8+,9+,10+,11-,12+,13+,14-,15-,16-,17+,18+,19+,20+,21+,22-,23-,24-/m0/s1
SMILES:
O([C@H]1[C@@H]([C@H]([C@H]([C@@H](CO)O1)O)O)O[C@H]1[C@H]([C@@H]([C@@H]([C@H](C)O1)O)O)O)[C@@H]1[C@@H](CO)O[C@H]([C@@H]([C@H]1O[C@H]1[C@H]([C@@H]([C@@H]([C@H](C)O1)O)O)O)O)O

alpha-L-Fuc-(1->2)-beta-D-Gal-(1->4)-D-Glc-(3->1)-alpha-L-Fuc(34852-43-2)物化性质

计算特性

  • 精确分子量 : 634.23202911Da
  • 氢键供体数量 : 12
  • 氢键受体数量 : 19
  • 可旋转化学键数量 : 8
  • 同位素质量 : 634.23202911Da
  • 重原子数量 : 43
  • 复杂度 : 886
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 20
  • 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 : 307Ų

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上海维亦特生物科技有限公司 15317051735赵静 2033721411
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