Cas no 72748-69-7 (2H-Pyrano[2,3-b][1,4]benzodioxin-4a,7,9(10aH)-triol,4-aminooctahydro-2-methyl-6,8-bis(methylamino)-,(2R,4S,4aS,5aR,6S,7S,8R,9S,9aR,10aS)- (9CI))

2H-Pyrano[2,3-b][1,4]benzodioxin-4a,7,9(10aH)-triol,4-aminooctahydro-2-methyl-6,8-bis(methylamino)-,(2R,4S,4aS,5aR,6S,7S,8R,9S,9aR,10aS)- (9CI) structure
72748-69-7 structure
Product Name:2H-Pyrano[2,3-b][1,4]benzodioxin-4a,7,9(10aH)-triol,4-aminooctahydro-2-methyl-6,8-bis(methylamino)-,(2R,4S,4aS,5aR,6S,7S,8R,9S,9aR,10aS)- (9CI)
CAS No:72748-69-7
MF:C14H27N3O6
MW:333.380684137344
CID:563871
PubChem ID:194465
Update Time:2025-04-19

2H-Pyrano[2,3-b][1,4]benzodioxin-4a,7,9(10aH)-triol,4-aminooctahydro-2-methyl-6,8-bis(methylamino)-,(2R,4S,4aS,5aR,6S,7S,8R,9S,9aR,10aS)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 2H-Pyrano[2,3-b][1,4]benzodioxin-4a,7,9(10aH)-triol,4-aminooctahydro-2-methyl-6,8-bis(methylamino)-,(2R,4S,4aS,5aR,6S,7S,8R,9S,9aR,10aS)- (9CI)
    • 2H-Pyrano[2,3-b][1,4]benzodioxin-4a,7,9(10aH)-triol,4-aminooctahydro-2-methyl-6,8-bis(methylamino)-,(2R,4S,4aS,5aR,6S,7S,8R,9
    • 4-amino-2-methyl-6,8-bis(methylamino)octahydro-2h-pyrano[2,3-b][1,4]benzodioxine-4a,7,9(10ah)-triol
    • 4-amino-4-dihydrospectinomycin
    • SCHEMBL11326270
    • 2H-Pyrano(2,3-b)(1,4)benzodioxin-4a,7,9(10aH)-triol, 4-aminooctahydro-2-methyl-6,8-bis(methylamino)-, (2R-(2alpha,4alpha,4abeta,5abeta,6beta,7beta,8beta,9alpha,9aalpha,10abeta))-
    • 4-Adh-spectinomycin
    • 72748-69-7
    • DTXSID10993555
    • Inchi： 1S/C14H27N3O6/c1-5-4-6(15)14(20)13(21-5)22-12-10(19)7(16-2)9(18)8(17-3)11(12)23-14/h5-13,16-20H,4,15H2,1-3H3
    • InChI Key： HGIJKKNAKGJVCE-UHFFFAOYSA-N
    • SMILES： O1C2(C(CC(C)OC2OC2C(C(C(C(C12)NC)O)NC)O)N)O

Computed Properties

  • Exact Mass: 333.19011
  • Monoisotopic Mass: 333.19
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 2
  • Complexity: 443
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 10
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: -3.3
  • Topological Polar Surface Area: 139?2

Experimental Properties

  • Density: 1.39
  • Boiling Point: 568.6°C at 760 mmHg
  • Flash Point: 297.7°C
  • Refractive Index: 1.596
  • PSA: 138.46

2H-Pyrano[2,3-b][1,4]benzodioxin-4a,7,9(10aH)-triol,4-aminooctahydro-2-methyl-6,8-bis(methylamino)-,(2R,4S,4aS,5aR,6S,7S,8R,9S,9aR,10aS)- (9CI) Related Literature

72748-69-7 (2H-Pyrano[2,3-b][1,4]benzodioxin-4a,7,9(10aH)-triol,4-aminooctahydro-2-methyl-6,8-bis(methylamino)-,(2R,4S,4aS,5aR,6S,7S,8R,9S,9aR,10aS)- (9CI)) Related Products

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