Cas no 193402-48-1 (Coenzyme A,S-octadecanoate, lithium salt (9CI))

Coenzyme A,S-octadecanoate, lithium salt (9CI) structure
193402-48-1 structure
Product Name:Coenzyme A,S-octadecanoate, lithium salt (9CI)
CAS No:193402-48-1
MF:C39H66Li4N7O17P3S
MW:1057.72833204269
CID:116368
PubChem ID:117072696
Update Time:2025-04-18

Coenzyme A,S-octadecanoate, lithium salt (9CI) Chemical and Physical Properties

Names and Identifiers

    • Coenzyme A,S-octadecanoate, lithium salt (9CI)
    • n-Octadecanoyl Coenzyme A
    • stearoyl coenzyme a lithium salt
    • stearoyl coenzyme A (C18:0) lithium
    • N-OCTADECANOYL COENZYME A LITHIUM SALT
    • STEAROYL COENZYME A (C18:0) LITHIUM SALT
    • coenzyme A stearoyl derivative (C18:0), lithium salt
    • 193402-48-1
    • n-Octadecanoyl Coenzyme A
    • Stearoyl coenzyme a(c18:0)lithium
    • tetralithium;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[(3R)-3-hydroxy-2,2-dimethyl-4-[[3-(2-octadecanoylsulfanylethylamino)-3-oxopropyl]amino]-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] phosphate
    • G89755
    • Stearoyl coenzyme A lithium
    • DA-67780
    • Inchi: 1S/C39H70N7O17P3S.4Li/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46;;;;/h26-28,32-34,38,49-50H,4-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54);;;;/q;4*+1/p-4/t28-,32-,33-,34+,38-;;;;/m1..../s1
    • InChI Key: MPFKQSRFWSQHAV-VXVXVQOXSA-J
    • SMILES: S(CCNC(CCNC([C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3C(N)=NC=NC2=3)O1)O)OP(=O)([O-])[O-])O)=O)=O)C(CCCCCCCCCCCCCCCCC)=O.[Li+].[Li+].[Li+].[Li+]

Computed Properties

  • Exact Mass: 1057.4088896g/mol
  • Monoisotopic Mass: 1057.4088896g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 22
  • Heavy Atom Count: 71
  • Rotatable Bond Count: 35
  • Complexity: 1630
  • Covalently-Bonded Unit Count: 5
  • Defined Atom Stereocenter Count: 5
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 400?2

Coenzyme A,S-octadecanoate, lithium salt (9CI) Security Information

  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Storage Condition:?20°C

Coenzyme A,S-octadecanoate, lithium salt (9CI) Pricemore >>

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