Cas no 75005-71-9 (b-D-Allofuranuronic acid,5-[[(2S,3S,4S)-2-amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)-3-methyl-1-oxobutyl]amino]-1-(4-carboxy-2,3-dihydro-2-oxo-1H-imidazol-1-yl)-1,5-dideoxy-(9CI))

b-D-Allofuranuronic acid,5-[[(2S,3S,4S)-2-amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)-3-methyl-1-oxobutyl]amino]-1-(4-carboxy-2,3-dihydro-2-oxo-1H-imidazol-1-yl)-1,5-dideoxy-(9CI) structure
75005-71-9 structure
Product Name:b-D-Allofuranuronic acid,5-[[(2S,3S,4S)-2-amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)-3-methyl-1-oxobutyl]amino]-1-(4-carboxy-2,3-dihydro-2-oxo-1H-imidazol-1-yl)-1,5-dideoxy-(9CI)
CAS No:75005-71-9
MF:C20H25N5O11
MW:511.439405202866
CID:568959
PubChem ID:173325
Update Time:2025-04-19

b-D-Allofuranuronic acid,5-[[(2S,3S,4S)-2-amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)-3-methyl-1-oxobutyl]amino]-1-(4-carboxy-2,3-dihydro-2-oxo-1H-imidazol-1-yl)-1,5-dideoxy-(9CI) Chemical and Physical Properties

Names and Identifiers

    • b-D-Allofuranuronic acid,5-[[(2S,3S,4S)-2-amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)-3-methyl-1-oxobutyl]amino]-1-(4-carboxy-2,3-dihydro-2-oxo-1H-imidazol-1-yl)-1,5-dideoxy-(9CI)
    • 3-[5-[[[2-amino-4-hydroxy-4-(5-hydroxypyridin-2-yl)-3-methylbutanoyl]amino]-carboxymethyl]-3,4-dihydroxyoxolan-2-yl]-2-oxo-1H-imidazole-5-carboxylic acid
    • b-D-Allofuranuronic acid,5-[[(2S,3S,4S)-2-amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)-3-methyl-1-oxobutyl]amino]-1-(4-carboxy-2
    • Neopolyoxin B
    • DTXSID90996509
    • beta-D-Allofuranuronic acid, 5-((2-amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)-3-methyl-1-oxobutyl)amino)-1-(4-carboxy-2,3-dihydro-2-oxo-1H-imidazol-1-yl)-1,5-dideoxy-, (2S-(2R*,3R*,4R*))-
    • 1-(5-{[2-Amino-1,4-dihydroxy-4-(5-hydroxypyridin-2-yl)-3-methylbutylidene]amino}-5-deoxyhexofuranuronosyl)-2-hydroxy-1H-imidazole-4-carboxylic acid
    • 75005-71-9
    • Inchi： 1S/C20H25N5O11/c1-6(12(27)8-3-2-7(26)4-22-8)10(21)16(30)24-11(19(33)34)15-13(28)14(29)17(36-15)25-5-9(18(31)32)23-20(25)35/h2-6,10-15,17,26-29H,21H2,1H3,(H,23,35)(H,24,30)(H,31,32)(H,33,34)
    • InChI Key： BQPHOTQSNGGNOY-UHFFFAOYSA-N
    • SMILES： O1C(C(C(C1C(C(=O)O)NC(C(C(C)C(C1C=CC(=CN=1)O)O)N)=O)O)O)N1C(NC(C(=O)O)=C1)=O

Computed Properties

  • Exact Mass: 511.15505663g/mol
  • Monoisotopic Mass: 511.15505663g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 9
  • Hydrogen Bond Acceptor Count: 13
  • Heavy Atom Count: 36
  • Rotatable Bond Count: 9
  • Complexity: 917
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 8
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 12
  • XLogP3: -5.7
  • Topological Polar Surface Area: 265?2

Experimental Properties

  • Density: 1.722
  • Refractive Index: 1.7

b-D-Allofuranuronic acid,5-[[(2S,3S,4S)-2-amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)-3-methyl-1-oxobutyl]amino]-1-(4-carboxy-2,3-dihydro-2-oxo-1H-imidazol-1-yl)-1,5-dideoxy-(9CI) Related Literature

Related Categories

75005-71-9 (b-D-Allofuranuronic acid,5-[[(2S,3S,4S)-2-amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)-3-methyl-1-oxobutyl]amino]-1-(4-carboxy-2,3-dihydro-2-oxo-1H-imidazol-1-yl)-1,5-dideoxy-(9CI)) Related Products

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