1,2,3,4-二-o-异亚丙基-alpha-d-半乳糖醛酸甲酯 | 18524-41-9
1,2,3,4-二-o-异亚丙基-alpha-d-半乳糖醛酸甲酯
1,2:3,4-Di-O-isopropylidene-a-D-galacturonide Methyl Ester
18524-41-9
C13H20O7
288.29400
名称和标识符
InChIKey |
OWRLFIZIOSVOGE-KJFVXYAMSA-N |
Inchi |
InChI=1S/C13H20O7/c1-12(2)17-6-7(18-12)9-11(20-13(3,4)19-9)16-8(6)10(14)15-5/h6-9,11H,1-5H3/t6-,7+,8+,9-,11-/m1/s1 |
SMILES |
COC([C@@H]1[C@@H]2OC(C)(C)O[C@@H]2[C@@H]2[C@@H](OC(C)(C)O2)O1)=O |
别名信息
- 中文别名 -
- 1,2,3,4-二-o-异亚丙基-alpha-d-半乳糖醛酸甲酯
- 英文别名 -
- a-D-Galactopyranuronic acid,1,2:3,4-bis-O-(1-methylethylidene)-, methyl ester
- 1,2,3,4-DI-O-ISOPROPYLIDENE-ALPHA-D-GALACTURONIC ACID METHYL ESTER
- 1,2,3,4-DI-O-ISOPROPYLIDENE-α-D-GALACTURONIC ACID METHYL ESTER
- (3aR,5S,5aR,8aS,8bR)-methyl-2,2,7,7-tetramethyltetrahydro-3aH-bis([1,3]dioxolo)[4,5-b:4',5'-d]pyran-5-carboxylate
- 1,2:3,4-DI-O-ISOPROPYLIDENE-α-D-GALACTURONIC ACID METHYL ESTER
- methyl (1,2,3,4-di-O-isopropylidene-α-D-galactopyranoside)uron
- methyl 1,2,3,4-di-O-isopropylidene-α-D-galactopyranuronate
- O1,O2,O3,O4-diisopropylidene-α-D-galactopyranuronic acid methyl ester
- O1,O2,O3,O4-Diisopropyliden-α-D-galactopyranuronsaeure-methylester
- 1,2:3,4-DI-O-ISOPROPYLIDENE-ALPHA-D-GALACTURONIC ACID METHYL ESTER
- 1-O,2-O:3-O,4-O-Bis(isopropylidene)-α-D-galactopyranuronic acid methyl ester
- methyl (1S,2R,6R,8S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxylate
- (3AR,5S,5aR,8aS,8bR)-methyl2,2,7,7-tetramethyltetrahydro-3aH-bis([1,3]dioxolo)[4,5-b:4',5'-d]pyran-5-carboxylate
- (3aR,5S,5aR,8aS,8bR)-methyl 2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxylate
- (3AR,5S,5aR,8aS,8bR)-methyl 2,2,7,7-tetramethyltetrahydro-3aH-bis([1,3]dioxolo)[4,5-b:4',5'-d]pyran-5-carboxylate
- SCHEMBL7153616
- 18524-41-9
- 1,2:3,4-Di-O-isopropylidene-a-D-galacturonide methyl ester
物化性质
实验特性
LogP |
0.55590 |
PSA |
72.45000 |
沸点 |
328.4±42.0 °C at 760 mmHg |
熔点 |
NA |
蒸气压 |
0.0±0.7 mmHg at 25°C |
密度 |
1.2±0.1 g/cm3 |
计算特性
精确分子量 |
288.12100 |
氢键供体数量 |
0 |
氢键受体数量 |
7 |
可旋转化学键数量 |
2 |
同位素质量 |
288.121 |
重原子数量 |
20 |
复杂度 |
419 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
5 |
不确定原子立构中心数量 |
0 |
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) |
0.6 |
拓扑分子极性表面积 |
72.4A^2 |