Cas no 51385-47-8 (Adenosine,2'-deoxy-N,N,N-trimethyl-, chloride (9CI))
51385-47-8 structure
Product Name:Adenosine,2'-deoxy-N,N,N-trimethyl-, chloride (9CI)
CAS No:51385-47-8
MF:C13H20ClN5O3
MW:329.782601356506
CID:382942
PubChem ID:5351913
Update Time:2025-04-19
Adenosine,2'-deoxy-N,N,N-trimethyl-, chloride (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Adenosine,2'-deoxy-N,N,N-trimethyl-, chloride (9CI)
- [9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]-trimethylazanium,chloride
- AC1NS1EI
- NSC104118
- NSC-104118
- NSC90328
- NSC-90328
- 51385-47-8
- DTXSID10417721
- CHEMBL1979168
-
- Inchi： 1S/C13H20N5O3.ClH/c1-18(2,3)13-11-12(14-6-15-13)17(7-16-11)10-4-8(20)9(5-19)21-10;/h6-10,19-20H,4-5H2,1-3H3;1H/q+1;/p-1
- InChI Key： UEJPGAZZGKUBFY-UHFFFAOYSA-M
- SMILES： [Cl-].O1C(CO)C(CC1N1C=NC2C(=NC=NC1=2)[N+](C)(C)C)O
Computed Properties
- Exact Mass: 329.125467
- Monoisotopic Mass: 329.125467
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 22
- Rotatable Bond Count: 3
- Complexity: 377
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 93.3
Experimental Properties
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- PSA: 93.29000
- LogP: -3.33230
Adenosine,2'-deoxy-N,N,N-trimethyl-, chloride (9CI) Related Literature
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L. Di Michele,D. Fiocco,F. Varrato,E. Eiser,G. Foffi Soft Matter, 2014,10, 3633-3648
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
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Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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