Cas no 55726-38-0 (Pentanoic acid, 5-[(1-b-D-arabinofuranosyl-1,2-dihydro-2-oxo-4-pyrimidinyl)amino]-5-oxo-(9CI))

Pentanoic acid, 5-[(1-b-D-arabinofuranosyl-1,2-dihydro-2-oxo-4-pyrimidinyl)amino]-5-oxo-(9CI) structure
55726-38-0 structure
Product Name:Pentanoic acid, 5-[(1-b-D-arabinofuranosyl-1,2-dihydro-2-oxo-4-pyrimidinyl)amino]-5-oxo-(9CI)
CAS No:55726-38-0
MF:C14H19N3O8
MW:357.315963983536
CID:371269
PubChem ID:124305
Update Time:2025-04-19

Pentanoic acid, 5-[(1-b-D-arabinofuranosyl-1,2-dihydro-2-oxo-4-pyrimidinyl)amino]-5-oxo-(9CI) Chemical and Physical Properties

Names and Identifiers

    • Pentanoic acid, 5-[(1-b-D-arabinofuranosyl-1,2-dihydro-2-oxo-4-pyrimidinyl)amino]-5-oxo-(9CI)
    • N(4)-(4-carboxybutyryl)-1-beta-arabinofuranosylcytosine
    • Pentanoic acid, 5-((1-beta-D-arabinofuranosyl-1,2-dihydro-2-oxo-4-pyrimidinyl)amino)-5-oxo-
    • DTXSID50971094
    • Glu-ara-C
    • 55726-38-0
    • N4-(4-Carboxybutyryl)-ara-C
    • 4-[(4-Carboxybutanoyl)imino]-1-pentofuranosyl-1,4-dihydropyrimidin-2-ol
    • 5-[[1-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-5-oxopentanoic acid
    • Inchi： 1S/C14H19N3O8/c18-6-7-11(22)12(23)13(25-7)17-5-4-8(16-14(17)24)15-9(19)2-1-3-10(20)21/h4-5,7,11-13,18,22-23H,1-3,6H2,(H,20,21)(H,15,16,19,24)/t7-,11-,12+,13?/m1/s1
    • InChI Key： CRYKZBGMEOSART-LDDHNJQWSA-N
    • SMILES： O1[C@H](CO)[C@H]([C@@H](C1N1C(N=C(C=C1)NC(CCCC(=O)O)=O)=O)O)O

Computed Properties

  • Exact Mass: 357.11721457g/mol
  • Monoisotopic Mass: 357.11721457g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 7
  • Complexity: 605
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -1.6
  • Topological Polar Surface Area: 169?2

Pentanoic acid, 5-[(1-b-D-arabinofuranosyl-1,2-dihydro-2-oxo-4-pyrimidinyl)amino]-5-oxo-(9CI) Related Literature

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