Cas no 762229-10-7 (ba-D-Glucopyranosiduronic acid, methyl 4-O-methyl- (9CI))
762229-10-7 structure
Product Name:ba-D-Glucopyranosiduronic acid, methyl 4-O-methyl- (9CI)
CAS No:762229-10-7
MF:C8H14O7
MW:222.192563533783
CID:550180
Update Time:2023-11-18
ba-D-Glucopyranosiduronic acid, methyl 4-O-methyl- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- b-D-Glucopyranosiduronic acid,methyl 4-O-methyl-
- ba-D-Glucopyranosiduronic acid, methyl 4-O-methyl- (9CI)
- bta-D-Glucopyranosiduronicacid,methyl4-O-methyl-(9CI)
- (2S,3S,4R,5R,6R)-4,5-Dihydroxy-3,6-dimethoxytetrahydro-2H-pyran-2-carboxylic acid
- CID 102278153
- β-D-Glucopyranosiduronic acid, methyl 4-O-methyl-
-
- Inchi： 1S/C8H14O7/c1-13-5-3(9)4(10)8(14-2)15-6(5)7(11)12/h3-6,8-10H,1-2H3,(H,11,12)/t3-,4-,5+,6+,8-/m1/s1
- InChI Key： BMROTMHSIROAJV-KYGLGHNPSA-N
- SMILES： O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1C(=O)O)OC)O)O)OC
Computed Properties
- Exact Mass: 222.074
- Monoisotopic Mass: 222.074
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 231
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 105
Experimental Properties
- Density: 1.44±0.1 g/cm3(Predicted)
- Boiling Point: 430.9±45.0 °C(Predicted)
- pka: 2.75±0.70(Predicted)
ba-D-Glucopyranosiduronic acid, methyl 4-O-methyl- (9CI) Related Literature
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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