Cas no 117998-57-9 (Guanosine, N-benzoyl-2′-deoxy-, 3′,5′-di-O-benzoate 6-[2,4,6-tris(1-methylethyl)benzenesulfonate])

Guanosine, N-benzoyl-2′-deoxy-, 3′,5′-di-O-benzoate 6-[2,4,6-tris(1-methylethyl)benzenesulfonate] structure
117998-57-9 structure
Product Name:Guanosine, N-benzoyl-2′-deoxy-, 3′,5′-di-O-benzoate 6-[2,4,6-tris(1-methylethyl)benzenesulfonate]
CAS No:117998-57-9
MF:C46H47N5O9S
MW:845.958490610123
CID:6645059
Update Time:2024-06-21

Guanosine, N-benzoyl-2′-deoxy-, 3′,5′-di-O-benzoate 6-[2,4,6-tris(1-methylethyl)benzenesulfonate] Chemical and Physical Properties

Names and Identifiers

    • Guanosine, N-benzoyl-2′-deoxy-, 3′,5′-di-O-benzoate 6-[2,4,6-tris(1-methylethyl)benzenesulfonate]
    • Inchi: 1S/C46H47N5O9S/c1-27(2)33-22-34(28(3)4)40(35(23-33)29(5)6)61(55,56)60-43-39-41(48-46(50-43)49-42(52)30-16-10-7-11-17-30)51(26-47-39)38-24-36(59-45(54)32-20-14-9-15-21-32)37(58-38)25-57-44(53)31-18-12-8-13-19-31/h7-23,26-29,36-38H,24-25H2,1-6H3,(H,48,49,50,52)/t36-,37+,38+/m0/s1
    • InChI Key: XVUNSBOKFQCXGF-YXWIYCFASA-N
    • SMILES: O(C1N=C(N=C2C=1N=CN2[C@@H]1O[C@@H]([C@H](C1)OC(C1C=CC=CC=1)=O)COC(C1C=CC=CC=1)=O)NC(C1C=CC=CC=1)=O)S(C1C(=CC(=CC=1C(C)C)C(C)C)C(C)C)(=O)=O

Experimental Properties

  • Density: 1.33±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)
  • pka: 7.38±0.43(predicted)
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