a-D-吡喃甘露糖,甲基O-a-D-吡喃半乳糖基-(1;3)-O-[b-D-吡喃葡萄糖基-(1;2)]-(9CI) | 125365-17-5
a-D-吡喃甘露糖,甲基O-a-D-吡喃半乳糖基-(1;3)-O-[b-D-吡喃葡萄糖基-(1;2)]-(9CI)
a-D-Mannopyranoside, methyl O-a-D-galactopyranosyl-(1®3)-O-[b-D-glucopyranuronosyl-(1®2)]- (9CI)
125365-17-5
C19H32O17
532.44718
名称和标识符
InChIKey |
LOWQBZMGQPXYKM-UHFFFAOYSA-N |
Inchi |
InChI=1S/C19H32O17/c1-31-19-15(36-18-12(28)9(25)10(26)14(35-18)16(29)30)13(7(23)5(3-21)33-19)34-17-11(27)8(24)6(22)4(2-20)32-17/h4-15,17-28H,2-3H2,1H3,(H,29,30) |
SMILES |
OCC1OC(OC2C(O)C(CO)OC(OC)C2OC2OC(C(=O)O)C(O)C(O)C2O)C(O)C(O)C1O |
别名信息
- 英文别名 -
- 3,4,5-trihydroxy-6-[5-hydroxy-6-(hydroxymethyl)-2-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxyoxane-2-carboxylic acid
- methyl 3-O-galactopyranosyl-2-O-(glucopyranosyluronic acid)mannopyranoside
- 2)]- (9CI)
- alpha-D-Mannopyranoside, methyl O-alpha-D-galactopyranosyl-(1-3)-O-(beta-D-glucopyranuronosyl-(1-2))-
- Me-3-Gpgpmp
- methyl hexopyranosyl-(1->3)-[hexopyranuronosyl-(1->2)]hexopyranoside
- 125365-17-5
- DTXSID70925110
- Methyl hexopyranosyl-(1->3)-[hexopyranuronosyl-(1->2)]hexopyranoside
- Methyl 3-O-galactopyranosyl-2-O-(glucopyranosyluronic acid)mannopyranoside
物化性质
实验特性
计算特性
精确分子量 |
532.16386 |
氢键供体数量 |
10 |
氢键受体数量 |
17 |
可旋转化学键数量 |
8 |
同位素质量 |
532.16394955g/mol |
重原子数量 |
36 |
复杂度 |
726 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
0 |
不确定原子立构中心数量 |
15 |
确定化学键立构中心数量 |
0 |
不确定化学键立构中心数量 |
0 |
共价键单元数量 |
1 |
疏水参数计算参考值(XlogP) |
-5 |
互变异构体数量 |
无 |
表面电荷 |
0 |
拓扑分子极性表面积 |
275Ų |
a-D-吡喃甘露糖,甲基O-a-D-吡喃半乳糖基-(1;3)-O-[b-D-吡喃葡萄糖基-(1;2)]-(9CI)推荐生产厂家