Cas no 1985-21-3 (3'-Uridylic acid,adenylyl-(3'®5')-)

3'-Uridylic acid,adenylyl-(3'®5')- structure
1985-21-3 structure
Product Name:3'-Uridylic acid,adenylyl-(3'®5')-
CAS No:1985-21-3
MF:C19H25N7O15P2
MW:653.387225866318
CID:215682
PubChem ID:164908
Update Time:2025-04-19

3'-Uridylic acid,adenylyl-(3'®5')- Chemical and Physical Properties

Names and Identifiers

    • adenylyl-(3'-5')-uridine 3'-monophosphate
    • (2R,3S,4R,5R)-2-({[{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy}(hydroxy)phosphoryl]oxy}methyl)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-hydroxytetrahydrofuran-3-yl dihydrogen phosphate (non-preferred name)
    • 3'-Uridylic acid, adenylyl-(3'-5')-
    • Adenylyl-(3'-5')-3'-uridylic acid
    • ApUp
    • adenylyl-(3/'-5/')-uridine 3/'-monophosphate
    • 1985-21-3
    • Adenylyl-(3'-->5')-3'-uridylic acid
    • DB01792
    • [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methyl hydrogen phosphate
    • Adenylyl-(3'->5')uridine 3'-Monophosphate
    • NS00071689
    • PD060242
    • DTXSID101298663
    • adenylyl-3'-5'-phospho-uridine-3'-monophosphate
    • (2R,3S,4R,5R)-2-({[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy}(hydroxy)phosphoryl]oxy}methyl)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-hydroxytetrahydrofuran-3-yl dihydrogen phosphate (non-preferred name)
    • 3'-Uridylic acid,adenylyl-(3'®5')-
    • Inchi： 1S/C19H25N7O15P2/c20-15-10-16(22-5-21-15)26(6-23-10)18-11(29)13(7(3-27)38-18)41-43(35,36)37-4-8-14(40-42(32,33)34)12(30)17(39-8)25-2-1-9(28)24-19(25)31/h1-2,5-8,11-14,17-18,27,29-30H,3-4H2,(H,35,36)(H2,20,21,22)(H,24,28,31)(H2,32,33,34)/t7-,8-,11-,12-,13-,14-,17-,18-/m1/s1
    • InChI Key： FZCSEXOMUJFOHQ-KPKSGTNCSA-N
    • SMILES： P(=O)(O)(OC[C@@H]1[C@H]([C@H]([C@H](N2C=CC(NC2=O)=O)O1)O)OP(=O)(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: 653.08855
  • Monoisotopic Mass: 653.088
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 8
  • Hydrogen Bond Acceptor Count: 19
  • Heavy Atom Count: 43
  • Rotatable Bond Count: 10
  • Complexity: 1200
  • 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: _6.5
  • Topological Polar Surface Area: 321?2

Experimental Properties

  • Density: 2.34
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • Refractive Index: 1.891
  • PSA: 320.7

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