Cas no 199684-60-1 (Sodium α-Cyclodextrin Phosphate)

Sodium α-Cyclodextrin Phosphate structure
199684-60-1 structure
Product Name:Sodium α-Cyclodextrin Phosphate
CAS No:199684-60-1
MF:C36H60Na6O48P6
MW:1584.61400699615
MDL:MFCD03095428
CID:908771
PubChem ID:71312276
Update Time:2025-04-19

Sodium α-Cyclodextrin Phosphate Chemical and Physical Properties

Names and Identifiers

    • -CYCLODEXTRIN PHOSPHATE SODIUM SA
    • A-CYCLODEXTRIN, DIHYDROGEN PHOSPHATE, SODIUM SALT
    • A-CYCLODEXTRIN PHOSPHATE SODIUM SALT
    • Alpha-Cyclodextrin Dihydrogen Phosphate Sodium Salt
    • α-cyclodextrin phosphate sodium salt
    • a-Cyclodextrin dihydrogen phosphate sodium salt
    • PUBCHEM_71312276
    • 199684-60-1
    • ALPHA-CYCLODEXTRIN PHOSPHATE SODIUM SALT
    • DTXSID80746752
    • Sodium α-Cyclodextrin Phosphate
    • MDL: MFCD03095428
    • Inchi: 1S/C36H66O48P6.6Na/c37-13-19(43)31-73-7(1-67-85(49,50)51)25(13)79-32-20(44)14(38)27(9(74-32)3-69-87(55,56)57)81-34-22(46)16(40)29(11(76-34)5-71-89(61,62)63)83-36-24(48)18(42)30(12(78-36)6-72-90(64,65)66)84-35-23(47)17(41)28(10(77-35)4-70-88(58,59)60)82-33-21(45)15(39)26(80-31)8(75-33)2-68-86(52,53)54;;;;;;/h7-48H,1-6H2,(H2,49,50,51)(H2,52,53,54)(H2,55,56,57)(H2,58,59,60)(H2,61,62,63)(H2,64,65,66);;;;;;/q;6*+1/p-6/t7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-;;;;;;/m1....../s1
    • InChI Key: UVXCHNWIGVNOSW-WWKXUIADSA-H
    • SMILES: P(=O)([O-])(O)OC[C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]1[C@@H](COP(=O)([O-])O)O[C@@H]([C@@H]([C@H]1O)O)O[C@@H]1[C@@H](COP(=O)([O-])O)O[C@@H]([C@@H]([C@H]1O)O)O[C@@H]1[C@@H](COP(=O)([O-])O)O[C@@H]([C@@H]([C@H]1O)O)O[C@@H]1[C@@H](COP(=O)([O-])O)O[C@@H]([C@@H]([C@H]1O)O)O[C@@H]1[C@@H](COP(=O)([O-])O)O[C@@H]([C@@H]([C@H]1O)O)O2)O)O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

Computed Properties

  • Exact Mass: 1584.01000
  • Monoisotopic Mass: 1584.0065913g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 18
  • Hydrogen Bond Acceptor Count: 48
  • Heavy Atom Count: 96
  • Rotatable Bond Count: 18
  • Complexity: 2170
  • Covalently-Bonded Unit Count: 7
  • Defined Atom Stereocenter Count: 30
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 771?2

Experimental Properties

  • PSA: 829.92000
  • LogP: -9.72360

Sodium α-Cyclodextrin Phosphate Security Information

  • WGK Germany:3
  • Safety Instruction: S22
  • FLUKA BRAND F CODES:10-21
  • Safety Term:S22-24/25
  • Storage Condition:2-8°C

Sodium α-Cyclodextrin Phosphate Pricemore >>

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