Cas no 63554-91-6 (5'-Adenylic acid, N-[(4-aminophenyl)methyl]-)

5'-Adenylic acid, N-[(4-aminophenyl)methyl]- structure
63554-91-6 structure
Product Name:5'-Adenylic acid, N-[(4-aminophenyl)methyl]-
CAS No:63554-91-6
MF:C17H21N6O7P
MW:452.358403921127
CID:426197
PubChem ID:71381065
Update Time:2025-04-19

5'-Adenylic acid, N-[(4-aminophenyl)methyl]- Chemical and Physical Properties

Names and Identifiers

    • 5'-Adenylic acid, N-[(4-aminophenyl)methyl]-
    • [(2R,3S,4R,5R)-5-[6-[(4-aminophenyl)methylamino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
    • SCHEMBL14689560
    • {[(2R,3S,4R,5R)-5-(6-{[(4-aminophenyl)methyl]amino}-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid
    • N-[(4-Aminophenyl)methyl]adenosine 5'-(dihydrogen phosphate)
    • DTXSID60803539
    • 63554-91-6
    • ((2R,3S,4R,5R)-5-(6-((4-Aminobenzyl)amino)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphate
    • Inchi： 1S/C17H21N6O7P/c18-10-3-1-9(2-4-10)5-19-15-12-16(21-7-20-15)23(8-22-12)17-14(25)13(24)11(30-17)6-29-31(26,27)28/h1-4,7-8,11,13-14,17,24-25H,5-6,18H2,(H,19,20,21)(H2,26,27,28)/t11-,13-,14-,17-/m1/s1
    • InChI Key： SOCFABNSURUMEE-LSCFUAHRSA-N
    • SMILES： P(=O)(O)(O)OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3C(=NC=NC2=3)NCC2C=CC(=CC=2)N)O1)O)O

Computed Properties

  • Exact Mass: 452.12113
  • Monoisotopic Mass: 452.12093403g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 12
  • Heavy Atom Count: 31
  • Rotatable Bond Count: 7
  • Complexity: 651
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -2
  • Topological Polar Surface Area: 198?2

Experimental Properties

  • PSA: 198.1

5'-Adenylic acid, N-[(4-aminophenyl)methyl]- Suppliers

NewCan Biotech Limited
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(CAS:63554-91-6)5'-Adenylic acid, N-[(4-aminophenyl)methyl]-
Order Number:NC13430
Stock Status:
Quantity:10g
Purity:97%
Pricing Information Last Updated:Friday, 18 July 2025 16:04
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NewCan Biotech Limited
(CAS:63554-91-6)5'-Adenylic acid, N-[(4-aminophenyl)methyl]-
NC13430
Purity:97%
Quantity:10g
Price ($):Inquiry
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