111216-36-5 ((D-Glucose, O-(N-acetyl-a-neuraminosyl)-(2®6)-O-b-D-galactopyranosyl-(1®4)-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:
111216-36-5
英文名称:
D-Glucose, O-(N-acetyl-a-neuraminosyl)-(2®6)-O-b-D-galactopyranosyl-(1®4)-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:
C43H72N2O33
分子量:
1145.02539730072

D-Glucose, O-(N-acetyl-a-neuraminosyl)-(2®6)-O-b-D-galactopyranosyl-(1®4)-O-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1®3)-O-b-D-galactopyranosyl-(1®4)-O-[6-deoxy-a-L-galactopyranosyl-(1®3)]-(111216-36-5)名称与标识符

名称

英文别名:
D-Glucose, O-(N-acetyl-a-neuraminosyl)-(2®N-Acetylneuraminyl-fucosyllacto-N-neo-tetraose from human milk;3)-O-b-D-galactopyranosyl-(1®4)-O-2-(acetylamino)-2-deoxy-b-D-glucopyranosy;4)-O-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1®6)-O-b-D-galactopyranosyl-(1®ALPHA-NEUNAC-[2->6]-BETA-GAL-[1->4]-BETA-GLCNAC-[1->3]-BETA-GAL-[1->4]-[ALPHA-FUC-(1->3)]-GLC;O-(N-Acetyl-alpha-neuraminosyl)-(2→6)-O-beta-D-galactopyranosyl-(1→4)-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;FLST-c;SFLNNT;3)]-D-glucose;SIALYL-FUCOSYLLACTO-N-NEO-TETRAOSE;3)-O-beta-D-galactopyranosyl-(1→O-(N-Acetyl-alpha-neuraminosyl)-(2→N-ACETYLNEURAMINYL-FUCOSYLLACTO-N-NEO-TETRAOSE;4)-O-[6-deoxy-alpha-L-galactopyranosyl-(1→n-acetylneuraminyl-fucosyllacto-n-neo-tetraose from human milk;α-neunac-(2→6)-β-gal-(1→4)-β-glcnac-(1→3)-β-gal-(1→4)-(α-fuc-[1→3])-glc;

标识符

InChIKey:
HSYHUIKGLHMONM-REKKSQLHSA-N
Inchi:
1S/C43H72N2O33/c1-10-21(54)26(59)28(61)39(69-10)77-36-30(63)37(65)70-17(8-49)33(36)75-41-31(64)35(24(57)15(6-47)71-41)76-38-20(45-12(3)51)25(58)32(16(7-48)72-38)74-40-29(62)27(60)23(56)18(73-40)9-68-43(42(66)67)4-13(52)19(44-11(2)50)34(78-43)22(55)14(53)5-46/h10,13-41,46-49,52-65H,4-9H2,1-3H3,(H,44,50)(H,45,51)(H,66,67)/t10-,13-,14+,15+,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-,43+/m0/s1
SMILES:
O([C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O[C@H]1[C@@H]([C@H]([C@H]([C@@H](CO[C@]2(C(=O)O)C[C@@H]([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O2)NC(C)=O)O)O1)O)O)O)O)NC(C)=O)[C@H]1[C@H]([C@@H](CO)O[C@H]([C@@H]1O)O[C@@H]1[C@@H](CO)OC([C@@H]([C@H]1O[C@H]1[C@H]([C@@H]([C@@H]([C@H](C)O1)O)O)O)O)O)O

D-Glucose, O-(N-acetyl-a-neuraminosyl)-(2®6)-O-b-D-galactopyranosyl-(1®4)-O-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1®3)-O-b-D-galactopyranosyl-(1®4)-O-[6-deoxy-a-L-galactopyranosyl-(1®3)]-(111216-36-5)物化性质

实验特性

  • 溶解度 : 微溶 (4.6 g/L) (25 ºC),
  • 密度 : 1.74±0.1 g/cm3 (20 ºC 760 Torr),

计算特性

  • 氢键供体数量 : 21
  • 氢键受体数量 : 35
  • 可旋转化学键数量 : 22
  • 重原子数量 : 78

D-Glucose, O-(N-acetyl-a-neuraminosyl)-(2®6)-O-b-D-galactopyranosyl-(1®4)-O-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1®3)-O-b-D-galactopyranosyl-(1®4)-O-[6-deoxy-a-L-galactopyranosyl-(1®3)]-(111216-36-5)安全信息

D-Glucose, O-(N-acetyl-a-neuraminosyl)-(2®6)-O-b-D-galactopyranosyl-(1®4)-O-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1®3)-O-b-D-galactopyranosyl-(1®4)-O-[6-deoxy-a-L-galactopyranosyl-(1®3)]-(111216-36-5)推荐厂家 更多厂家(9)

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