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1398-61-4 分子结构
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N-[(2R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

ChemBase编号:133322
分子式:C8H15NO6
平均质量:221.2078
单一同位素质量:221.08993721
SMILES和InChIs

SMILES:
CC(=O)NC1[C@@H](OC(C(C1O)O)CO)O
Canonical SMILES:
OCC1O[C@@H](O)C(C(C1O)O)NC(=O)C
InChI:
InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4?,5?,6?,7?,8-/m1/s1
InChIKey:
OVRNDRQMDRJTHS-WTZNIHQSSA-N

引用这个纪录

CBID:133322 http://www.chembase.cn/molecule-133322.html

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名称和登记号

名称和登记号

名称 登记号
IUPAC标准名
N-[(2R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
IUPAC传统名
N-[(2R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
别名
Chitin 来源于虾壳
Poly-(1→4)-β-N-acetyl-D-glucosamine
Chitin from shrimp shells
CAS号
1398-61-4
EC号
215-744-3
MDL号
MFCD00466914
PubChem SID
162227599
24892942
24893190
24893141
PubChem CID
6857375

数据来源

数据来源

所有数据来源 商品来源 非商品来源
数据来源 数据ID
PubChem 6857375 external link

理论计算性质

理论计算性质

JChem
Acid pKa 11.60413  质子受体
质子供体 LogD (pH = 5.5) -3.2205749 
LogD (pH = 7.4) -3.2206008  Log P -3.2205744 
摩尔折射率 47.0247 cm3 极化性 19.398714 Å3
极化表面积 119.25 Å2 可自由旋转的化学键
里宾斯基五规则 true 

分子性质

分子性质

理化性质 安全信息 产品相关信息 生物活性(PubChem)
外观
coarse flakes expand 查看数据来源
powder expand 查看数据来源
purified powder expand 查看数据来源
MSDS下载
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源
德国WGK号
3 expand 查看数据来源
个人保护装置
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand 查看数据来源
级别
practical grade expand 查看数据来源
适用性
suitable as substrate for chitinase test expand 查看数据来源
suitable for analysis of chitinase expand 查看数据来源
燃烧残渣
~5% expand 查看数据来源
Mol. Weight
Mr ~400000(lit.) expand 查看数据来源

详细说明

详细说明

Sigma Aldrich Sigma Aldrich
Sigma Aldrich -  C7170 external link
Antigen Background
Chitin from shrimp shells is suitable for analysis of chitinase. It is a polysaccharide composed of N-acetyl-D-glucomasine that can also be used for the manufacture of glucosamine and chitosan.
Quality
Requires purification prior to use as a substrate for chitinase.
Application
Chitin, a β(1,4) polymer chain of N-acetyl-D glucosamine, is used as a substrate to identify, differentiate and characterize chitinase(s) and chitin deacetylase(s). Chitin may be used as a viscosity/thickening agent or binder.
Sigma Aldrich -  C9752 external link
Preparation Note
Purified by a modification of the method of Hirano, S. and Nagao, N., Agric. Biol. Chem., 52, 2111 (1988).
Application
Chitin, a β(1,4) polymer chain of N-acetyl-D glucosamine, is used as a substrate to identify, differentiate and characterize chitinase(s) and chitin deacetylase(s). Chitin may be used as a viscosity/thickening agent or binder.
Sigma Aldrich -  C9213 external link
Application
Chitin, a β(1,4) polymer chain of N-acetyl-D glucosamine, is used as a substrate to identify, differentiate and characterize chitinase(s) and chitin deacetylase(s). Chitin may be used as a viscosity/thickening agent or binder.
Sigma Aldrich -  22720 external link
Other Notes
Can be chemically modified by deacetylation and further reactions on chitosan1; Useful as starting material for the enzymatic synthesis of oligosaccharides; potentially useful material for the removal of metals from contaminated water2
Sigma Aldrich -  22718 external link
Other Notes
Review of properties and possible applications1; In immobilization techniques. Fructose production by immobilized inulinase2; In the bacterial production of N,N′-diacetylchitobiose3; Preparation of chitin gels4
Sigma Aldrich -  22719 external link
Application
suitable as substrate for chitinase
Other Notes
For the immobilization of α-amylase1

参考文献

参考文献

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专利

专利

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互联网资源

互联网资源

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