Cas no 65128-56-5 (5'-Guanylic acid, 2'-deoxy-, monomethyl ester)
65128-56-5 structure
Product Name:5'-Guanylic acid, 2'-deoxy-, monomethyl ester
CAS No:65128-56-5
MF:C11H16N5O7P
MW:806.1374g/mol
CID:525583
PubChem ID:136033707
Update Time:2024-03-01
5'-Guanylic acid, 2'-deoxy-, monomethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 5'-Guanylic acid,2'-deoxy-, monomethyl ester (9CI)
- Methyl 2'-deoxy-5'-guanylate
- 5'-Guanylic acid, 2'-deoxy-, monomethyl ester
- 5'-O-(Methoxyphosphonyl)-2'-deoxyguanosine
- CID 136033707
-
- Inchi： 1S/C11H16N5O7P/c1-21-24(19,20)22-3-6-5(17)2-7(23-6)16-4-13-8-9(16)14-11(12)15-10(8)18/h4-7,17H,2-3H2,1H3,(H,19,20)(H3,12,14,15,18)/t5-,6+,7+/m0/s1
- InChI Key： OJKOFFWPUHCGKE-RRKCRQDMSA-N
- SMILES： P(=O)(O)(OC)OC[C@@H]1[C@H](C[C@H](N2C=NC3C(NC(N)=NC2=3)=O)O1)O
Computed Properties
- Exact Mass: 806.493876
- Monoisotopic Mass: 806.493876
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 24
- Rotatable Bond Count: 5
- Complexity: 589
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -2.4
- Topological Polar Surface Area: 171
5'-Guanylic acid, 2'-deoxy-, monomethyl ester Related Literature
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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