Cas no 102029-96-9 (Adenosine, adenylyl-(3'®5')-, monoammonium salt (9CI))

Adenosine, adenylyl-(3'®5')-, monoammonium salt (9CI) structure
102029-96-9 structure
Product Name:Adenosine, adenylyl-(3'®5')-, monoammonium salt (9CI)
CAS No:102029-96-9
MF:C20H25N10O10P
MW:596.447263479233
CID:124859
PubChem ID:94231
Update Time:2025-04-18

Adenosine, adenylyl-(3'®5')-, monoammonium salt (9CI) Chemical and Physical Properties

Names and Identifiers

    • [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl hydrogen phosphate (non-preferred name)
    • [5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
    • ADENYLYL(3'-5')ADENOSINE
    • 5')-, monoammonium salt (9CI)
    • APA
    • 2391-46-0
    • Adenylyladenosine
    • NSC 91555
    • 102029-96-9
    • EINECS 219-239-9
    • Adenylyl-(3'-5')-adenosine
    • [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] hydrogen phosphate
    • ((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl (2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl hydrogen phosphate
    • [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
    • Phosphoric acid 5-(6-amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethyl ester 5-(6-amino-purin-9-yl)-4-hydroxy-2-hydroxymethyl-tetrahydro-furan-3-yl ester
    • DTXSID201316197
    • Adenylyl-(3'.5')-adenosine
    • Adenosine, adenylyl-(3'®5')-, monoammonium salt (9CI)
    • Inchi： 1S/C20H25N10O10P/c21-15-9-17(25-3-23-15)29(5-27-9)19-12(33)11(32)8(39-19)2-37-41(35,36)40-14-7(1-31)38-20(13(14)34)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1
    • InChI Key： UYSXBCQACJTYFS-XPWFQUROSA-N
    • SMILES： P(=O)(O)(OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3C(N)=NC=NC2=3)O1)O)O)O[C@@H]1[C@@H](CO)O[C@H]([C@@H]1O)N1C=NC2C(N)=NC=NC1=2

Computed Properties

  • Exact Mass: 596.14955
  • Monoisotopic Mass: 596.14927403g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 7
  • Hydrogen Bond Acceptor Count: 18
  • Heavy Atom Count: 41
  • Rotatable Bond Count: 8
  • Complexity: 980
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 8
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -5
  • Topological Polar Surface Area: 294?2

Experimental Properties

  • PSA: 294.38

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