Cas no 94333-59-2 (b-D-Fructofuranose,1,6-bis(dihydrogen phosphate), tetrasodium salt (9CI))

b-D-Fructofuranose,1,6-bis(dihydrogen phosphate), tetrasodium salt (9CI) structure
94333-59-2 structure
Product Name:b-D-Fructofuranose,1,6-bis(dihydrogen phosphate), tetrasodium salt (9CI)
CAS No:94333-59-2
MF:C6H11Na4O12P2
MW:429.050948381424
CID:808943
PubChem ID:44153258
Update Time:2025-04-19

b-D-Fructofuranose,1,6-bis(dihydrogen phosphate), tetrasodium salt (9CI) Chemical and Physical Properties

Names and Identifiers

    • b-D-Fructofuranose,1,6-bis(dihydrogen phosphate), tetrasodium salt (9CI)
    • beta-d-Fructofuranose, 1,6-bis(dihydrogen phosphate), tetrasodium salt
    • tetrasodium,(2R,3S,4S,5R)-2,5-bis(phosphonooxymethyl)oxolane-2,3,4-triolate
    • 94333-59-2
    • EINECS 305-038-4
    • Inchi: 1S/C6H11O12P2.4Na/c7-4-3(1-16-19(10,11)12)18-6(9,5(4)8)2-17-20(13,14)15;;;;/h3-5H,1-2H2,(H2,10,11,12)(H2,13,14,15);;;;/q-3;4*+1/t3-,4-,5+,6-;;;;/m1..../s1
    • InChI Key: FKDMYXFZQNVEOQ-YNSAWPIISA-N
    • SMILES: P(=O)(O)(O)OC[C@@]1([C@H]([C@@H]([C@@H](COP(=O)(O)O)O1)[O-])[O-])[O-].[Na+].[Na+].[Na+].[Na+]

Computed Properties

  • Exact Mass: 428.93165191g/mol
  • Monoisotopic Mass: 428.93165191g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 12
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 6
  • Complexity: 428
  • Covalently-Bonded Unit Count: 5
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 212?2

Experimental Properties

  • PSA: 231.55000
  • LogP: -1.67120
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