Cas no 4696-66-6 (Galactaric acid,calcium salt (1:1) (8CI,9CI))
4696-66-6 structure
Product Name:Galactaric acid,calcium salt (1:1) (8CI,9CI)
CAS No:4696-66-6
MF:C6H8CaO8
MW:248.200922012329
CID:331199
PubChem ID:6452070
Update Time:2025-04-19
Galactaric acid,calcium salt (1:1) (8CI,9CI) Chemical and Physical Properties
Names and Identifiers
-
- Galactaric acid,calcium salt (1:1) (8CI,9CI)
- calcium galactarate
- 5-methyl-2-phenyl-4-({[2-(trifluoromethyl)phenyl]amino}methylidene)-2,4-dihydro-3H-pyrazol-3-one
- calcium (2R,3S,4R,5S)-2,3,4,5-tetrahydroxyhexanedioate (non-preferred name)
- 4696-66-6
- EINECS 225-168-4
- NS00081528
-
- Inchi: 1S/C6H10O8.Ca/c7-1(3(9)5(11)12)2(8)4(10)6(13)14;/h1-4,7-10H,(H,11,12)(H,13,14);/q;+2/p-2/t1-,2+,3+,4-;
- InChI Key: UGZVNIRNPPEDHM-UEXKISHTSA-L
- SMILES: [Ca+2].O[C@@H]([C@@H](C(=O)[O-])O)[C@@H]([C@H](C(=O)[O-])O)O
Computed Properties
- Exact Mass: 247.9845081g/mol
- Monoisotopic Mass: 247.9845081g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 191
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 161?2
Galactaric acid,calcium salt (1:1) (8CI,9CI) Related Literature
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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2. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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