Cas no 32266-35-6 (Guanosine,N-(1-oxobutyl)-, cyclic 3',5'-(hydrogen phosphate) 2'-butanoate)

Guanosine,N-(1-oxobutyl)-, cyclic 3',5'-(hydrogen phosphate) 2'-butanoate structure
32266-35-6 structure
Product Name:Guanosine,N-(1-oxobutyl)-, cyclic 3',5'-(hydrogen phosphate) 2'-butanoate
CAS No:32266-35-6
MF:C18H24N5O9P
MW:485.385025024414
CID:314044
PubChem ID:135488018
Update Time:2025-04-19

Guanosine,N-(1-oxobutyl)-, cyclic 3',5'-(hydrogen phosphate) 2'-butanoate Chemical and Physical Properties

Names and Identifiers

    • Guanosine,N-(1-oxobutyl)-, cyclic 3',5'-(hydrogen phosphate) 2'-butanoate
    • [(4Ar,6R,7R,7aR)-6-[2-(butanoylamino)-6-oxo-1H-purin-9-yl]-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl] butanoate
    • 32266-35-6
    • Inchi: 1S/C18H24N5O9P/c1-3-5-10(24)20-18-21-15-12(16(26)22-18)19-8-23(15)17-14(31-11(25)6-4-2)13-9(30-17)7-29-33(27,28)32-13/h8-9,13-14,17H,3-7H2,1-2H3,(H,27,28)(H2,20,21,22,24,26)/t9-,13-,14-,17-/m1/s1
    • InChI Key: SWTMOFFYOXKQNN-KRQFVHPKSA-N
    • SMILES: P1(=O)(O)OC[C@@H]2[C@H]([C@H]([C@H](N3C=NC4C(NC(NC(CCC)=O)=NC3=4)=O)O2)OC(CCC)=O)O1

Computed Properties

  • Exact Mass: 485.13132
  • Monoisotopic Mass: 485.131
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 33
  • Rotatable Bond Count: 9
  • Complexity: 885
  • 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
  • Topological Polar Surface Area: 180A^2
  • XLogP3: -1

Experimental Properties

  • Density: 1.8
  • Refractive Index: 1.734
  • PSA: 179.67
  • LogP: 1.05630

Guanosine,N-(1-oxobutyl)-, cyclic 3',5'-(hydrogen phosphate) 2'-butanoate Related Literature

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