N-[(3R,4R,5S,6R)-2,4-dihydroxy-6-(hydroxymethyl)-5-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl]acetamide

• ChemBase编号: 104028
• 分子式: C14H25NO11
• 平均质量: 383.3484
• 单一同位素质量: 383.14276063
• SMILES: O=C(N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](OC1O)CO)C
• Canonical SMILES: OC[C@H]1OC(O)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O)O)NC(=O)C
• InChI: InChI=1S/C14H25NO11/c1-4(18)15-7-9(20)12(6(3-17)24-13(7)23)26-14-11(22)10(21)8(19)5(2-16)25-14/h5-14,16-17,19-23H,2-3H2,1H3,(H,15,18)/t5-,6-,7-,8+,9-,10+,11-,12-,13?,14+/m1/s1
• InChIKey: KFEUJDWYNGMDBV-RPHKZZMBSA-N

名称和登记号

名称

• IUPAC标准名: N-[(3R,4R,5S,6R)-2,4-dihydroxy-6-(hydroxymethyl)-5-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl]acetamide
• IUPAC传统名: Gal-β1,4-GlcNAc
• 别名: β-D-Gal-[1→4]-D-GlcNAc; N-ACETYLLACTOSAMINE; β-D-Gal-(1→4)-D-GlcNAc; 2-Acetamido-2-deoxy-4-O-β-D-galactopyranosyl-D-glucopyranose; LN; N-Acetyl-4-O-(β-D-galactopyranosyl)-D-glucosamine; N-Acetyl-D-lactosamine; LacNAc, 2-(Acetylamino)-2-deoxy-4-O-β-D-galactopyranosyl-D-glucose; N-Acetyl-4-O-β-D-galactopyranosyl-D-glucosamine; Galβ-(1-4)-D-GlcNAc

登记号

• CAS号: 32181-59-2
• MDL号: MFCD00063785
• Beilstein号: 96808
• PubChem SID: 24891280; 162091420
• PubChem CID: 9800166

理论计算性质

• Acid pKa: 11.501288
• 质子受体: 11
• 质子供体: 8
• LogD (pH = 5.5): -4.9914103
• LogD (pH = 7.4): -4.9914436
• Log P: -4.9914103
• 摩尔折射率: 79.438 cm^3
• 极化性: 33.212086 Å^3
• 极化表面积: 198.4 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: Water
• 外观: White Crystalline Solid
• 熔点: 170-172°C dec.

安全信息

• 保存条件: Refrigerator
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38
• 安全公开号: 26-36/37
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves
• 保存温度: -20°C

产品相关信息

• 纯度: ≥98%; ≥98%

详细说明

MP Biomedicals - 02154182

(β-D-Gal-[1→4]-D-GlcNAc) Purity: ≥98% A component oligosccharide portion of many N- and O-linked glycoproteins. It is a building unit for the antigenic determinants of a number of certain

Sigma Aldrich - A6259

Application
Useful in studies of galactosidase, fucosyltransferase, sialyltransferase, and lectin inhibition.
Preparation Note
Enzymatically prepared.

Sigma Aldrich - A7791

Application
Useful in studies of galactosidase, fucosyltransferase, sialyltransferase, and lectin inhibition.
N-Acetyl-D-lactosamine is used as a specific lectin target molecule in the identification and differentiation of sugar binding molecules such as the galectins. N-Acetyl-D-lactosamine is used in studies of galactosidase, fucosyltransferase, sialyltransferase, and lectin inhibition.
包装
10 mg in autosmp vl
Preparation Note
Synthetic

Toronto Research Chemicals - A180000

A component of oligosaccharide portion of many N- and O-linked glycoproteins. It is a building unit for the antigenic determinants of a number of certain human blood group activities as well as of the ABH Type 2 determinants.

参考文献

• Biochemistry, 7, 2976 (1968)
• FEBS Lett., 104, 135 (1968)
• J. Biol. Chem., 256, 10456 (1968)
• Anal. Chem. 68, 2573-2579 (1996)