Cas no 52225-08-8 (5-(2-amino-6-methoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol)

5-(2-amino-6-methoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol structure
52225-08-8 structure
Product Name:5-(2-amino-6-methoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CAS No:52225-08-8
MF:C11H15N5O4
MW:281.267901659012
CID:936597
PubChem ID:264742
Update Time:2025-04-19

5-(2-amino-6-methoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol Chemical and Physical Properties

Names and Identifiers

    • 5-(2-amino-6-methoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
    • 5-(2-amino-6-methoxy-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
    • 9-(2-deoxypentofuranosyl)-6-methoxy-9h-purin-2-amine
    • AC1L6CH0
    • AC1Q4XYT
    • AGN-PC-00FCVA
    • AR-1H4953
    • NSC100044
    • NSC-100044
    • 52562-36-4
    • 2'-Deoxy-6-O-methyl-guanosine
    • DTXSID40966994
    • SCHEMBL21162582
    • 9-(2-Deoxypentofuranosyl)-6-methoxy-3,9-dihydro-2H-purin-2-imine
    • 6-O-Methyldeoxyguanosine
    • NCI60_000001
    • 52225-08-8
    • AKOS040763865
    • CHEMBL1995639
    • O6-Methyl-deoxyguanosine
    • DTXSID10295167
    • O6-Methyldeoxy ? guanosine
    • Inchi: 1S/C11H15N5O4/c1-19-10-8-9(14-11(12)15-10)16(4-13-8)7-2-5(18)6(3-17)20-7/h4-7,17-18H,2-3H2,1H3,(H2,12,14,15)
    • InChI Key: BCKDNMPYCIOBTA-UHFFFAOYSA-N
    • SMILES: O1C(CO)C(CC1N1C=NC2C(=NC(N)=NC1=2)OC)O

Computed Properties

  • Exact Mass: 281.11255
  • Monoisotopic Mass: 281.11240398g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 3
  • Complexity: 349
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 3
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.1
  • Topological Polar Surface Area: 129?2

Experimental Properties

  • PSA: 128.54
  • LogP: -0.36100
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