Cas no 126431-96-7 (b-D-Glucopyranose,1-[(2R)-3-[(3,4-dimethoxybenzoyl)oxy]-2-methylpropanoate]6-(4-hydroxy-3-methoxybenzoate) (9CI))
![b-D-Glucopyranose,1-[(2R)-3-[(3,4-dimethoxybenzoyl)oxy]-2-methylpropanoate]6-(4-hydroxy-3-methoxybenzoate) (9CI) structure](https://ossimg.kuujia.com/scimg/126500/126431-96-7x500.png)
126431-96-7 structure
Product Name:b-D-Glucopyranose,1-[(2R)-3-[(3,4-dimethoxybenzoyl)oxy]-2-methylpropanoate]6-(4-hydroxy-3-methoxybenzoate) (9CI)
CAS No:126431-96-7
MF:C27H32O14
MW:580.534589767456
CID:215473
Update Time:2024-03-01
b-D-Glucopyranose,1-[(2R)-3-[(3,4-dimethoxybenzoyl)oxy]-2-methylpropanoate]6-(4-hydroxy-3-methoxybenzoate) (9CI) Chemical and Physical Properties
Names and Identifiers
-
- b-D-Glucopyranose,1-[(2R)-3-[(3,4-dimethoxybenzoyl)oxy]-2-methylpropanoate]6-(4-hydroxy-3-methoxybenzoate) (9CI)
- b-D-Glucopyranose,1-[3-[(3,4-dimethoxybenzoyl)oxy]-2-methylpropanoate]6-(4-hydroxy-3-methoxybenzoate), (R)-
- Pyrenoside
- β-D-Glucopyranose, 1-[(2R)-3-[(3,4-dimethoxybenzoyl)oxy]-2-methylpropanoate] 6-(4-hydroxy-3-methoxybenzoate) (9CI)
-
- Inchi： 1S/C27H32O14/c1-13(11-38-25(33)15-6-8-17(35-2)19(10-15)37-4)24(32)41-27-23(31)22(30)21(29)20(40-27)12-39-26(34)14-5-7-16(28)18(9-14)36-3/h5-10,13,20-23,27-31H,11-12H2,1-4H3/t13-,20-,21-,22+,23-,27+/m1/s1
- InChI Key： OIIQCNVBKMYPJT-ADVBRAKOSA-N
- SMILES： [C@@H]1(OC(=O)[C@H](C)COC(=O)C2=CC=C(OC)C(OC)=C2)O[C@H](COC(=O)C2=CC=C(O)C(OC)=C2)[C@@H](O)[C@H](O)[C@H]1O
Computed Properties
- Exact Mass: 272.08309
Experimental Properties
- Density: 1.45±0.1 g/cm3(Predicted)
- Boiling Point: 757.6±60.0 °C(Predicted)
- PSA: 52.54
- pka: 8.17±0.20(Predicted)
b-D-Glucopyranose,1-[(2R)-3-[(3,4-dimethoxybenzoyl)oxy]-2-methylpropanoate]6-(4-hydroxy-3-methoxybenzoate) (9CI) Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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