[R-(R,R)]-2,3-二(乙酰氧基)丁二酸-1,2,3-丙三醇酯(1:2)与棕榈酸和硬脂酸的混合双酯

Butanedioic acid, 2,3-bis(acetyloxy)-, [R-(R*,R*)]-, ester with 1,2,3-propanetriol (1:2), mixed diesters with palmitic acid and stearic acid · CAS 95193-76-3

中文名: [R-(R*,R*)]-2,3-二(乙酰氧基)丁二酸-1,2,3-丙三醇酯(1:2)与棕榈酸和硬脂酸的混合双酯
中文别名: 暂无
英文名: Butanedioic acid, 2,3-bis(acetyloxy)-, [R-(R*,R*)]-, ester with 1,2,3-propanetriol (1:2), mixed diesters with palmitic acid and stearic acid
CAS: 95193-76-3
CID: 177843428
IUPAC 名称: (2R,3R)-2,3-diacetyloxybutanedioic acid;hexadecanoic acid;octadecanoic acid;bis(propane-1,2,3-triol)

名称与编号

中文名: [R-(R*,R*)]-2,3-二(乙酰氧基)丁二酸-1,2,3-丙三醇酯(1:2)与棕榈酸和硬脂酸的混合双酯
中文别名: 暂无
英文名: Butanedioic acid, 2,3-bis(acetyloxy)-, [R-(R*,R*)]-, ester with 1,2,3-propanetriol (1:2), mixed diesters with palmitic acid and stearic acid
CAS: 95193-76-3
CID: 177843428
IUPAC 名称: (2R,3R)-2,3-diacetyloxybutanedioic acid;hexadecanoic acid;octadecanoic acid;bis(propane-1,2,3-triol)

分子属性

分子式: C48H94O18
分子量: 959.2 g/mol
精确质量: 958.64401615 Da
单同位素质量: 958.64401615 Da
XLogP: 暂无
极性表面积: 323 Å²
氢键供体: 10
氢键受体: 18
可旋转键: 41
重原子数: 66
净电荷: 0
结构复杂度: 693

结构标识

InChIKey: XWDTXVIRYIUSJH-GSEQGPDBSA-N
SMILES: CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCC(=O)O.CC(=O)O[C@H]([C@H](C(=O)O)OC(=O)C)C(=O)O.C(C(CO)O)O.C(C(CO)O)O
InChI: InChI=1S/C18H36O2.C16H32O2.C8H10O8.2C3H8O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;1-3(9)15-5(7(11)12)6(8(13)14)16-4(2)10;2*4-1-3(6)2-5/h2-17H2,1H3,(H,19,20);2-15H2,1H3,(H,17,18);5-6H,1-2H3,(H,11,12)(H,13,14);2*3-6H,1-2H2/t;;5-,6-;;/m..1../s1