Cas no 10225-46-4 (STREPTOMYCIN, FROM IMIDOYLDIHYDRO-,SESQUISULFATE)

STREPTOMYCIN, FROM IMIDOYLDIHYDRO-,SESQUISULFATE structure
10225-46-4 structure
Product Name:STREPTOMYCIN, FROM IMIDOYLDIHYDRO-,SESQUISULFATE
CAS No:10225-46-4
MF:C22H42N8O12
MW:610.615285396576
CID:155683
PubChem ID:462374
Update Time:2025-04-19

STREPTOMYCIN, FROM IMIDOYLDIHYDRO-,SESQUISULFATE Chemical and Physical Properties

Names and Identifiers

    • STREPTOMYCIN, FROM IMIDOYLDIHYDRO-,SESQUISULFATE
    • N-[2-[2-[2,4-bis(diaminomethylideneamino)-3,5,6-trihydroxycyclohexyl]oxy-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-N-methylmethanimidamide
    • STREPOMYCIN, FORMIMIDOYLDIHYDRO, SESQUISULFATE SALT
    • 2,2'-(4-{[5-deoxy-2-O-(2-deoxy-2-{[(E)-iminomethyl](methyl)amino}hexopyranosyl)-3-C-(hydroxymethyl)pentofuranosyl]oxy}-2,5,6-trihydroxycyclohexane-1,3-diyl)diguanidine
    • Guanidine, N,N'''-(4-((5-deoxy-2-O-(2-deoxy-2-((iminomethyl)methylamino)hexopyranosyl)-3-C-(hydroxymethyl)pentofuranosyl)oxy)-2,5,6-trihydroxy-1,3-cyclohexanediyl)bis-, sulfate (1:2) (salt)
    • NSC 18702
    • N-[2-[2-[2,4-bis(diaminomethylideneamino)-3,5,6-trihydroxycyclohexyl]oxy-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-N-methylmethanimidamide;sulfuric acid
    • N-[2-[2-(2,4-diguanidino-3,5,6-trihydroxy-cyclohexoxy)-4-hydroxy-4-(hydroxymethyl)-5-methyl-tetrahydrofuran-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]-N-methyl-formamidine
    • Guanidine, N,N'''-[4-[[5-deoxy-2-O-[2-deoxy-2-[(iminomethyl)methylamino]hexopyranosyl]-3-C-(hydroxymethyl)pentofuranosyl]oxy]-2,5,6-trihydroxy-1,3-cyclohexanediyl]bis-, sulfate (1:2) (salt)
    • 10225-46-4
    • Inchi： 1S/C22H42N8O12/c1-6-22(38,4-32)17(42-18-10(30(2)5-23)14(36)11(33)7(3-31)40-18)19(39-6)41-16-9(29-21(26)27)12(34)8(28-20(24)25)13(35)15(16)37/h5-19,23,31-38H,3-4H2,1-2H3,(H4,24,25,28)(H4,26,27,29)
    • InChI Key： NILIZBVATKKSNN-UHFFFAOYSA-N
    • SMILES： O(C1C(C(C(C(C1/N=C(\N)/N)O)/N=C(\N)/N)O)O)C1C(C(CO)(C(C)O1)O)OC1C(C(C(C(CO)O1)O)O)N(C=N)C

Computed Properties

  • Exact Mass: 610.29246
  • Monoisotopic Mass: 610.29221880g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 13
  • Hydrogen Bond Acceptor Count: 15
  • Heavy Atom Count: 42
  • Rotatable Bond Count: 10
  • Complexity: 989
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 15
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -8.1
  • Topological Polar Surface Area: 355?2

Experimental Properties

  • PSA: 363.44
  • LogP: -4.71930

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