CAS: 73960-72-2; (1S,2R)-1-((2R,3R,4S)-3-Acetamido-4-Acetoxy-6-(Methoxycarbonyl)-3,4-Dihydro-2H-Pyran-2-yl)Propane-1,2,3-Triyl Triacetate

该化合物是一个复杂的有机化合物,其特征是多种功能组和立体化学.该物质具有非二倍酸基质,表明在非氮酸结构中存在双倍的结合,同时存在一种可促进其独特特性的氢糖味.乙基氨基氨和甲基酯组的存在表明,该物质有可能应用于生物化学研究,特别是在对甘基酸和碳水化合物化学衍生物的复杂性和多样性的研究中.此外,该化合物的立体化学特性可能影响到其生物活动和与其他生物分子的相互作用.

英文名称(1S,2R)-1-((2R,3R,4S)-3-Acetamido-4-Acetoxy-6-(Methoxycarbonyl)-3,4-Dihydro-2H-Pyran-2-yl)Propane-1,2,3-Triyl Triacetate
中文名称(2R,3R,4S)-3-乙酰氨基-4-乙酰氧基-2-((1R,2R)-1,2,3-三乙酰氧基丙基)-3,4-二氢-2H-吡喃-6-羧酸甲酯
IUPAC名称(1S,2R)-1-((2R,3R,4S)-3-Acetamido-4-acetoxy-6-(methoxycarbonyl)-3,4-dihydro-2H-pyran-2-yl)propane-1,2,3-triyl triacetate
其它别名Methyl 2,3-Didehydro-4,7,8,9-Tetra-O-Acetyl-N-Acetylneuraminate; Methyl5-Acetamido-4,7,8,9-Tetra-O-Acetyl-2,6-Anhydro-3,5-Dideoxy-D-Glycero-D-Galacto-Non-2-Enonate; Methyl 2,3-Didehydro-4,7,8,9-Tetera-O-Acetyl-N-Acetylneuraminate; D-Glycero-D-Galacto-Non-2-Enonic Acid, 5-(Acetylamino)-2,6-Anhydro-3,5-Dideoxy-, Methyl Ester, 4,7,8,9-Tetraacetate; Methyl5-Acetamido-4,7,8,9-Tetra-O-Acetyl-2,6-Anhydro-3,5-Dideoxy-D-Glycero-D-Galacto-Non-2-Enonate Usp/ep/bp; (1S,2R)-1-((2R,3R,4S)-3-Acetamido-4-Acetoxy-6-(Methoxycarbonyl)-3,4-Dihydro-2H-Pyran-2-Yl)Propane-1,2,3-Triyl Triacetate
CAS编号73960-72-2
MFCD编号:MFCD02683245
分子式:C20H27NO12分子量:473.43
产品CID: 1728106
产品分类生物化工 → 糖类化合物 → 寡糖

相似结构搜索
InChIKey: UZTLYEOULACYKZ-AIHBUXEESA-N
InChI=1S/C20H27NO12/c1-9(22)21-17-14(30-11(3)24)7-15(20(27)28-6)33-19(17)18(32-13(5)26)16(31-12(4)25)8-29-10(2)23/h7,14,16-19H,8H2,1-6H3,(H,21,22)/t14-,16+,17+,18+,19+/m0
计算化学: 氢键受体数12.0氢键供体数1.0可旋转键数14.0

物理性质

熔点126-127°C
沸点571.8±50.0 °C(预测)
闪点299.6 °C
密度1.31
pKa:13.69±0.70(预测)
PSA:169.83
LogP:-0.3041
溶解性Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
外观形态淡黄色固体

上下游产品

cyclohexylmethyl trimethylsilyl ether benzyl 2,6-di-O-benzyl-β-D-galactopyranoside methyl (ethyl 5-acetamido-4,7,8,9-tetra-O-acetyl-3,5-dideoxy-2-thio-D-glycero-α-D-galacto-non-2-ulopyranosid)onate O-ethyl S-[methyl (5-acetamido-4,7,8,9-tetra-O-acetyl-3,5-dideoxy-α-D-glycero-D-galacto-2-nonulopyranosyl)onate] dithi°Carbonate2,3-dehydro-2-deoxy-N-acetylneuraminic acid methyl 5-acetamido-2,6-anhydro-3,5-dideoxy-D-glycero-D-galacto-non-2-enonate 5-acetamido-4,7,8,9-tetra-O-benzyl-2,3-dehydro-3,5-dideoxy-D-glycero-D-galacto-2-nonulopyranosonic acid (3R,4R,5S,6R)-4-Acetoxy-5-acetylamino-2-chloro-3-phenylsulfanyl-6-((1S,2R)-1,2,3-triacetoxy-propyl)-tetrahydro-pyran-2-carboxylic acid methyl ester

合成工艺路线路线简述

合成目标产物 Methyl5-Acetamido-4,7,8,9-Tetra-O-Acetyl-2,6-Anhydro-3,5-Dideoxy-D-Glycero-D-Galacto-Non-2-Enonate 主要起始原料 N-Acetyl-2-Chloro-2-Deoxyneuraminic Acid Methyl Ester 4,7,8,9-Tetraacetate
(文献来源)合成步骤主要原料 N-Acetyl-2-Chloro-2-Deoxyneuraminic Acid Methyl Ester 4,7,8,9-Tetraacetate