O-[2-(Acetamido)-2-deoxy-3-O-beta-D-galactopyranosyl-alpha-D-galactopyranosyl]-L-threonine
O-[2-(Acetamido)-2-deoxy-3-O-beta-D-galactopyranosyl-alpha-D-galactopyranosyl]-L-threonine · CAS 60280-58-2
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- O-[2-(Acetamido)-2-deoxy-3-O-beta-D-galactopyranosyl-alpha-D-galactopyranosyl]-L-threonine
- CAS
- 60280-58-2
- CID
- 4196617
- IUPAC 名称
- 3-[3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-aminobutanoic acid
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- O-[2-(Acetamido)-2-deoxy-3-O-beta-D-galactopyranosyl-alpha-D-galactopyranosyl]-L-threonine
- CAS
- 60280-58-2
- CID
- 4196617
- IUPAC 名称
- 3-[3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-aminobutanoic acid
分子属性
- 分子式
- C18H32N2O13
- 分子量
- 484.5 g/mol
- 精确质量
- 484.19043908 Da
- 单同位素质量
- 484.19043908 Da
- XLogP
- -6.8
- 极性表面积
- 251 Ų
- 氢键供体
- 9
- 氢键受体
- 14
- 可旋转键
- 9
- 重原子数
- 33
- 净电荷
- 0
- 结构复杂度
- 669
结构标识
- InChIKey
- VWNOCGQJSBAAFO-UHFFFAOYSA-N
- SMILES
- CC(C(C(=O)O)N)OC1C(C(C(C(O1)CO)O)OC2C(C(C(C(O2)CO)O)O)O)NC(=O)C
- InChI
- InChI=1S/C18H32N2O13/c1-5(9(19)16(28)29)30-17-10(20-6(2)23)15(12(25)8(4-22)31-17)33-18-14(27)13(26)11(24)7(3-21)32-18/h5,7-15,17-18,21-22,24-27H,3-4,19H2,1-2H3,(H,20,23)(H,28,29)