Cas no 2664-64-4 (Butanamide,N,N'-[dithiobis[2,1-ethanediylimino(3-oxo-3,1-propanediyl)]]bis[2-hydroxy-3,3-dimethyl-4-(phosphonooxy)-(9CI))

Butanamide,N,N'-[dithiobis[2,1-ethanediylimino(3-oxo-3,1-propanediyl)]]bis[2-hydroxy-3,3-dimethyl-4-(phosphonooxy)-(9CI) structure
2664-64-4 structure
Product Name:Butanamide,N,N'-[dithiobis[2,1-ethanediylimino(3-oxo-3,1-propanediyl)]]bis[2-hydroxy-3,3-dimethyl-4-(phosphonooxy)-(9CI)
CAS No:2664-64-4
MF:C22H44N4O14P2S2
MW:714.680685997009
CID:279572
PubChem ID:193355
Update Time:2025-04-19

Butanamide,N,N'-[dithiobis[2,1-ethanediylimino(3-oxo-3,1-propanediyl)]]bis[2-hydroxy-3,3-dimethyl-4-(phosphonooxy)-(9CI) Chemical and Physical Properties

Names and Identifiers

    • Butanamide,N,N'-[dithiobis[2,1-ethanediylimino(3-oxo-3,1-propanediyl)]]bis[2-hydroxy-3,3-dimethyl-4-(phosphonooxy)-(9CI)
    • [3-hydroxy-4-[[3-[2-[2-[3-[(2-hydroxy-3,3-dimethyl-4-phosphonooxybutanoyl)amino]propanoylamino]ethyldisulfanyl]ethylamino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl] dihydrogen phosphate
    • 2664-64-4
    • N,N'-{Disulfanediylbis[(ethane-2,1-diyl)azanylylidene(3-hydroxyprop-1-yl-3-ylidene)]}bis[2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanimidic acid]
    • N,N'-(Dithiobis(2,1-ethanediylimino(3-oxo-3,1-propanediyl))) bis(2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanamide)
    • Pantethine 4',4''-diphosphate
    • DTXSID30949473
    • Inchi： 1S/C22H44N4O14P2S2/c1-21(2,13-39-41(33,34)35)17(29)19(31)25-7-5-15(27)23-9-11-43-44-12-10-24-16(28)6-8-26-20(32)18(30)22(3,4)14-40-42(36,37)38/h17-18,29-30H,5-14H2,1-4H3,(H,23,27)(H,24,28)(H,25,31)(H,26,32)(H2,33,34,35)(H2,36,37,38)
    • InChI Key： MQADSHRZGLDQRM-UHFFFAOYSA-N
    • SMILES： S(CCNC(CCNC(C(C(C)(C)COP(=O)(O)O)O)=O)=O)SCCNC(CCNC(C(C(C)(C)COP(=O)(O)O)O)=O)=O

Computed Properties

  • Exact Mass: 714.17706843g/mol
  • Monoisotopic Mass: 714.17706843g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 10
  • Hydrogen Bond Acceptor Count: 16
  • Heavy Atom Count: 44
  • Rotatable Bond Count: 23
  • Complexity: 960
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -4.4
  • Topological Polar Surface Area: 341?2

Butanamide,N,N'-[dithiobis[2,1-ethanediylimino(3-oxo-3,1-propanediyl)]]bis[2-hydroxy-3,3-dimethyl-4-(phosphonooxy)-(9CI) Related Literature

Related Categories

2664-64-4 (Butanamide,N,N'-[dithiobis[2,1-ethanediylimino(3-oxo-3,1-propanediyl)]]bis[2-hydroxy-3,3-dimethyl-4-(phosphonooxy)-(9CI)) Related Products

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