Cas no 4696-66-6 (Galactaric acid,calcium salt (1:1) (8CI,9CI))

Galactaric acid,calcium salt (1:1) (8CI,9CI) structure
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
Recommended suppliers
Jiangsu Kolod Food Ingredients Co.,ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jiangsu Kolod Food Ingredients Co.,ltd
Shanghai Joy Biotech Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shanghai Joy Biotech Ltd
Hangzhou Cedareal Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Hangzhou Cedareal Technology Co., Ltd.
Shanghai Aoguang Biotechnology Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shanghai Aoguang Biotechnology Co., Ltd
Hebei Liye chemical Co.,Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Hebei Liye chemical Co.,Ltd