Cas no 98072-06-1 (5'-Guanylic acid, monoanhydride with (phosphonomethyl)phosphonic acid, tetralithium salt)
98072-06-1 structure
Product Name:5'-Guanylic acid, monoanhydride with (phosphonomethyl)phosphonic acid, tetralithium salt
CAS No:98072-06-1
MF:C11H14Li4N5O13P3
MW:544.939844608307
CID:1992404
PubChem ID:136048273
Update Time:2025-04-21
5'-Guanylic acid, monoanhydride with (phosphonomethyl)phosphonic acid, tetralithium salt Chemical and Physical Properties
Names and Identifiers
-
- 5'-Guanylic acid, monoanhydride with (phosphonomethyl)phosphonic acid, tetralithium salt
- tetralithium,[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-(phosphonatomethyl)phosphinate
- DTXSID50243420
- DTXCID50165911
- 98072-06-1
- EINECS 308-457-0
-
- Inchi： 1S/C11H18N5O13P3.4Li/c12-11-14-8-5(9(19)15-11)13-2-16(8)10-7(18)6(17)4(28-10)1-27-32(25,26)29-31(23,24)3-30(20,21)22;;;;/h2,4,6-7,10,17-18H,1,3H2,(H,23,24)(H,25,26)(H2,20,21,22)(H3,12,14,15,19);;;;/q;4*+1/p-4/t4-,6-,7-,10-;;;;/m1..../s1
- InChI Key： MHXMLDLGGRMJGU-KWIZKVQNSA-J
- SMILES： P(=O)([O-])(OP(CP(=O)([O-])[O-])(=O)[O-])OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3C(NC(N)=NC2=3)=O)O1)O)O.[Li+].[Li+].[Li+].[Li+]
Computed Properties
- Exact Mass: 374.256943
- Monoisotopic Mass: 374.256943
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 27
- Rotatable Bond Count: 9
- Complexity: 431
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 50.8
Experimental Properties
- PSA: 331.61000
- LogP: -0.12960
5'-Guanylic acid, monoanhydride with (phosphonomethyl)phosphonic acid, tetralithium salt Related Literature
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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Ke Chen,Shuai Liu,Liang Mei,Feng Jin,Bo Zhang,Fengxiang Ma,Yewei Chen,Hong Deng,Min Guo,Qingxu Yu Analyst, 2020,145, 1524-1530
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
Related Categories
- Solvents and Organic Chemicals Organic Compounds Nucleosides, nucleotides, and analogues Purine nucleotides Purine ribonucleoside monophosphates
- Solvents and Organic Chemicals Organic Compounds Nucleosides, nucleotides, and analogues Purine nucleotides Purine ribonucleotides Purine ribonucleoside monophosphates
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