Cas no 1404-69-9 ((2xi)-2-({3-amino-6-[(3,6-diaminohexanoyl)amino]hexanoyl}amino)-4-O-carbamoyl-2-deoxy-N-[(3aS,7R,7aS)-7-hydroxy-4-oxo-3a,4,5,6,7,7a-hexahydro-1H-imidazo[4,5-c]pyridin-2-yl]-beta-D-xylo-hexopyranosylamine)

(2xi)-2-({3-amino-6-[(3,6-diaminohexanoyl)amino]hexanoyl}amino)-4-O-carbamoyl-2-deoxy-N-[(3aS,7R,7aS)-7-hydroxy-4-oxo-3a,4,5,6,7,7a-hexahydro-1H-imidazo[4,5-c]pyridin-2-yl]-beta-D-xylo-hexopyranosylamine structure
1404-69-9 structure
Product Name:(2xi)-2-({3-amino-6-[(3,6-diaminohexanoyl)amino]hexanoyl}amino)-4-O-carbamoyl-2-deoxy-N-[(3aS,7R,7aS)-7-hydroxy-4-oxo-3a,4,5,6,7,7a-hexahydro-1H-imidazo[4,5-c]pyridin-2-yl]-beta-D-xylo-hexopyranosylamine
CAS No:1404-69-9
MF:C25H46N10O9
MW:630.694344997406
CID:1293577
PubChem ID:102119
Update Time:2024-03-02

(2xi)-2-({3-amino-6-[(3,6-diaminohexanoyl)amino]hexanoyl}amino)-4-O-carbamoyl-2-deoxy-N-[(3aS,7R,7aS)-7-hydroxy-4-oxo-3a,4,5,6,7,7a-hexahydro-1H-imidazo[4,5-c]pyridin-2-yl]-beta-D-xylo-hexopyranosylamine Chemical and Physical Properties

Names and Identifiers

    • (2xi)-2-({3-amino-6-[(3,6-diaminohexanoyl)amino]hexanoyl}amino)-4-O-carbamoyl-2-deoxy-N-[(3aS,7R,7aS)-7-hydroxy-4-oxo-3a,4,5,6,7,7a-hexahydro-1H-imidazo[4,5-c]pyridin-2-yl]-beta-D-xylo-hexopyranosylamine
    • (2xi)-2-({3-amino-6-[(3,6-diaminohexanoyl)amino]hexanoyl}amino)-4-O-carbamoyl-2-deoxy-N-[(3aS,7R,7aS)-7-hydroxy-4-oxo-3a,4,5,6,7,7a-hexahydro-1H-imidazo[4,5-c]pyridin-2-yl]-beta-D-xylo-hexopyranosylam
    • 1404-69-9
    • Streptothricin E
    • Streptolin A
    • Inchi： 1S/C25H46N10O9/c26-5-1-3-11(27)7-15(38)30-6-2-4-12(28)8-16(39)32-19-20(40)21(44-24(29)42)14(10-36)43-23(19)35-25-33-17-13(37)9-31-22(41)18(17)34-25/h11-14,17-21,23,36-37,40H,1-10,26-28H2,(H2,29,42)(H,30,38)(H,31,41)(H,32,39)(H2,33,34,35)/t11?,12?,13-,14-,17-,18+,19?,20+,21+,23-/m1/s1
    • InChI Key： SCHKAKNJXBPJHD-HKJHEKHQSA-N
    • SMILES： O1[C@H](CO)[C@@H]([C@H](C([C@@H]1NC1=N[C@@H]2C(NC[C@H]([C@H]2N1)O)=O)NC(CC(CCCNC(CC(CCCN)N)=O)N)=O)O)OC(N)=O

Computed Properties

  • Exact Mass: 630.34492308g/mol
  • Monoisotopic Mass: 630.34492308g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 12
  • Hydrogen Bond Acceptor Count: 13
  • Heavy Atom Count: 44
  • Rotatable Bond Count: 17
  • Complexity: 1040
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 7
  • Undefined Atom Stereocenter Count : 3
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -6.4
  • Topological Polar Surface Area: 324?2

(2xi)-2-({3-amino-6-[(3,6-diaminohexanoyl)amino]hexanoyl}amino)-4-O-carbamoyl-2-deoxy-N-[(3aS,7R,7aS)-7-hydroxy-4-oxo-3a,4,5,6,7,7a-hexahydro-1H-imidazo[4,5-c]pyridin-2-yl]-beta-D-xylo-hexopyranosylamine Related Literature

Related Categories

1404-69-9 ((2xi)-2-({3-amino-6-[(3,6-diaminohexanoyl)amino]hexanoyl}amino)-4-O-carbamoyl-2-deoxy-N-[(3aS,7R,7aS)-7-hydroxy-4-oxo-3a,4,5,6,7,7a-hexahydro-1H-imidazo[4,5-c]pyridin-2-yl]-beta-D-xylo-hexopyranosylamine) Related Products

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