Cas no 23312-56-3 (Spectinomycin sulfate)

Spectinomycin sulfate structure
Spectinomycin sulfate structure
Product Name:Spectinomycin sulfate
CAS No:23312-56-3
MF:C14H24N2O7.H2O4S
MW:430.42804
CID:271911
Update Time:2020-07-09

Spectinomycin sulfate Chemical and Physical Properties

Names and Identifiers

    • 4H-Pyrano[2,3-b][1,4]benzodioxin-4-one,decahydro-4a,7,9-trihydroxy-2-methyl-6,8- bis(methylamino)-,(2R,4aR,5aR,6S,7S,8R,9S,- 9aR,10aS)-,sulfate (1:1) (salt)
    • 4H-Pyrano[2,3-b][1,4]benzodioxin-4-one,decahydro-4a,7,9-trihydroxy-2-methyl-6,8- bis(methylamino)-,(2R,4aR,5aR,6S,7S,8R,9S,-
    • SPECTINOMYCIN SULFATE
    • 4H-Pyrano2,3-b1,4benzodioxin-4-one,decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-,(2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-,sulfate (1:1) (salt)
    • Actinospectacin sulfate
    • Einecs 245-578-7
    • SPECTINOMYCIN SULPHATE
    • Decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-4H-pyrano[2,3-b][1,4]benzodioxin-4-one
    • Spectinomycin sulfate
    • Inchi: InChI=1S/C14H24N2O7.H2O4S/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18)8(16-3)11(12)23-14;1-5(2,3)4/h5,7-13,15-16,18-20H,4H2,1-3H3;(H2,1,2,3,4)/t5-,7-,8+,9+,10+,11-,12-,13+,14+;/m1./s1
    • InChI Key: XGBFWQUQYQIFLB-MTTMTQIXSA-N
    • SMILES: S(=O)(=O)(O)O.O1[C@]2(C(C[C@@H](C)O[C@@]2([H])O[C@]2([H])[C@H]([C@@H]([C@@H]([C@@H]([C@@]12[H])NC)O)NC)O)=O)O

Computed Properties

  • Exact Mass: 430.12600
  • Monoisotopic Mass: 430.126
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 7
  • Hydrogen Bond Acceptor Count: 13
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 2
  • Complexity: 559
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 9
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 213A^2

Experimental Properties

  • Color/Form: White crystalline powder
  • Boiling Point: 583℃
  • Flash Point: >110°(230°F)
  • Water Partition Coefficient: Soluble in DMSO or water
  • PSA: 212.49000
  • LogP: -1.71580

Spectinomycin sulfate Security Information

  • Storage Condition:Store at 0-5 ° C

Spectinomycin sulfate Pricemore >>

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