Cas no 104809-11-2 (Guanosine, cyclic3',5'-(hydrogen phosphate) 2'-(hydrogen butanedioate), monosodium salt (9CI))

Guanosine, cyclic3',5'-(hydrogen phosphate) 2'-(hydrogen butanedioate), monosodium salt (9CI) structure
104809-11-2 structure
Product Name:Guanosine, cyclic3',5'-(hydrogen phosphate) 2'-(hydrogen butanedioate), monosodium salt (9CI)
CAS No:104809-11-2
MF:C14H15N5NaO9P
MW:451.260534524918
CID:126444
PubChem ID:92043988
Update Time:2025-04-18

Guanosine, cyclic3',5'-(hydrogen phosphate) 2'-(hydrogen butanedioate), monosodium salt (9CI) Chemical and Physical Properties

Names and Identifiers

    • Guanosine, cyclic3',5'-(hydrogen phosphate) 2'-(hydrogen butanedioate), monosodium salt (9CI)
    • 2'-O-MONOSUCCINYLADENOSINE-3',5'-CYCLIC MONOPHOSPHATE SODIUM SALT
    • 2'-O-MONOSUCCINYLGUANOSINE-3',5'-CYCLIC MONOPHOSPHATE SODIUM SALT
    • 2'-O-MS-CAMP SODIUM SALT
    • 2'-O-MS-CGMP SODIUM SALT
    • 2’-o-monosuccinylguanosine-3’,5’-cyclicmonophosphate,sodiumsalt(2’-o-ms-cgmp)
    • 104809-11-2
    • sodium;4-[[(4aR,6R,7R,7aR)-6-(6-aminopurin-9-yl)-2-oxido-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl]oxy]-4-oxobutanoic acid
    • Inchi: 1S/C14H16N5O9P.Na/c15-12-9-13(17-4-16-12)19(5-18-9)14-11(27-8(22)2-1-7(20)21)10-6(26-14)3-25-29(23,24)28-10;/h4-6,10-11,14H,1-3H2,(H,20,21)(H,23,24)(H2,15,16,17);/q;+1/p-1/t6-,10-,11-,14-;/m1./s1
    • InChI Key: VMGHMVZYXPQDRF-HDMPVSQNSA-M
    • SMILES: P1(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@H](N3C=NC4C(N)=NC=NC3=4)O2)OC(CCC(=O)O)=O)O1.[Na+]

Computed Properties

  • Exact Mass: 451.05100
  • Monoisotopic Mass: 451.05050835g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 13
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 6
  • Complexity: 719
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 201?2

Experimental Properties

  • PSA: 210.85000
  • LogP: 0.61770

Guanosine, cyclic3',5'-(hydrogen phosphate) 2'-(hydrogen butanedioate), monosodium salt (9CI) Security Information

  • WGK Germany:3
  • Safety Term:WGK Germany 3
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