Hexa-N-acetylchitohexaose（CAS号：38854-46-5）

N-乙酰化壳六糖

基本信息

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CAS号

38854-46-5

分子式

C48H80N6O31

分子量

1237.17 g/mol

化学分类

基础化工原料有机化学品羧酸类

基础化工原料有机化学品醛类

基础化工原料有机化学品醚类

基础化工原料有机化学品杂环化合物

医药化工医药中间体杂环中间体

精细化工产品表面活性剂阴离子表面活性剂

聚合物和塑料热塑性塑料聚烯烃

实验室化学品科研化学品生化试剂

基本物理性质

熔点

>250°C (dec.)

比旋光度

-11.4 º (in H2O)

SMILES

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O([C@@]1([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C([H])([H])O[H])O1)O[C@@]1([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C([H])([H])O[H])O1)O[C@@]1([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C([H])([H])O[H])O1)O[H])O[H])N([H])C(C([H])([H])[H])=O)O[H])N([H])C(C([H])([H])[H])=O)O[H])N([H])C(C([H])([H])[H])=O)[C@]1([H])[C@@]([H])(C([H])([H])O[H])O[C@]([H])([C@@]([H])([C@@]1([H])O[H])N([H])C(C([H])([H])[H])=O)O[C@]1([H])[C@@]([H])(C([H])([H])O[H])O[C@]([H])([C@@]([H])([C@@]1([H])O[H])N([H])C(C([H])([H])[H])=O)O[C@]([H])([C@@]([H])(C([H])([H])O[H])O[H])[C@@]([H])([C@]([H])(C([H])=O)N([H])C(C([H])([H])[H])=O)O[H]

InChI

1S/C48H80N6O31/c1-14(62)49-20(7-55)32(69)39(21(68)8-56)81-45-28(51-16(3)64)35(72)41(23(10-58)77-45)83-47-30(53-18(5)66)37(74)43(25(12-60)79-47)85-48-31(54-19(6)67)38(75)42(26(13-61)80-48)84-46-29(52-17(4)65)36(73)40(24(11-59)78-46)82-44-27(50-15(2)63)34(71)33(70)22(9-57)76-44/h7,20-48,56-61,68-75H,8-13H2,1-6H3,(H,49,62)(H,50,63)(H,51,64)(H,52,65)(H,53,66)(H,54,67)/t20-,21+,22+,23+,24+,25+,26+,27+,28+,29+,30+,31+,32+,33+,34+,35+,36+,37+,38+,39+,40+,41+,42+,43+,44-,45-,46-,47-,48-/m0/s1

InChIKey

FUHDMRPNDKDRFE-LPUYKFNUSA-N

LogP

-10.89220

拓扑极性表面积

567.1900000000002 Å²

氢键供体/受体

20 / 37

复杂度

2220

同义词与引用数据

英文

N,N',N'',N''',N''''-Pentaacetyl chitopentaose
D-Glucose,O-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1&reg
HEXAACETYL-CHITOHEXAOSE
N,N',N'',N''',N'''',N'''''-Hexaacetylchitohexaose
N,N?,N’’,N?’’,N?’’’,N?’’’’-Hexaacetylchitohexaose
N,N’,N’’,N’’’,N’’’’,N’’’’’-Hexaacetylchitohexaose
4)-2-(acetylamino)-2-deoxy-
4)-O-2-(
4)-O-2-(acetylamino)-2-deoxy-b-D...
4)-O-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1&reg
Chitin oligosaccharides DP6
Chitinhexaose
GLCNAC-BETA1-4GLCNAC-BETA1-4GLCNAC-BETA1-4GLCNAC-BETA1-4GLCNAC-BETA1-4GLCNAC
N-acetylated chitohexaose
O-2-(Acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1→4)-2-(acetylamino)-2-deoxy-D-glucose
N-Acetylchitohexaose
Hexa-N-acetylchitohexaose
N-Acetylglucosamine hexamer
N-Acetylglucosamine hexasaccharide
Chitohexaose, hexa-N-acetyl (6CI)
D-Glucose, O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1-4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1-4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1-4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1-4)-O-2-(acetylamino)-2-deoxy-bet