Cas no 32730-55-5 (2-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolane-2-carbonyl]amino]acetic acid)

2-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolane-2-carbonyl]amino]acetic acid structure
32730-55-5 structure
Product Name:2-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolane-2-carbonyl]amino]acetic acid
CAS No:32730-55-5
MF:C12H14N6O6
MW:338.276161670685
CID:917203
PubChem ID:294610
Update Time:2025-04-19

2-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolane-2-carbonyl]amino]acetic acid Chemical and Physical Properties

Names and Identifiers

    • 2-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolane-2-carbonyl]amino]acetic acid
    • ({[5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]carbonyl}amino)acetic acid(non-preferred name)
    • AC1L6MAP
    • AC1Q5WNR
    • AG-J-26487
    • AR-1A0092
    • CTK1C5319
    • KST-1A3844
    • N-< 1-(9-Adenyl)-ss-D-ribofuranuronosyl> glycin
    • NSC163444
    • 2-(5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-carboxamido)acetic acid
    • DTXSID30303910
    • NSC-163444
    • ({[5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]carbonyl}amino)acetic acid
    • 32730-55-5
    • SCHEMBL16312562
    • Inchi: 1S/C12H14N6O6/c13-9-5-10(16-2-15-9)18(3-17-5)12-7(22)6(21)8(24-12)11(23)14-1-4(19)20/h2-3,6-8,12,21-22H,1H2,(H,14,23)(H,19,20)(H2,13,15,16)
    • InChI Key: MJEKUTDBGOEGON-UHFFFAOYSA-N
    • SMILES: O1C(C(NCC(=O)O)=O)C(C(C1N1C=NC2C(N)=NC=NC1=2)O)O

Computed Properties

  • Exact Mass: 338.09700
  • Monoisotopic Mass: 338.09748219g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 4
  • Complexity: 508
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 4
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -1.5
  • Topological Polar Surface Area: 186?2

Experimental Properties

  • PSA: 185.71000
  • LogP: -1.79940
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