Cas no 7013-17-4 ( )
structure
Product Name:
CAS No:7013-17-4
MF:C10H13N5O5
MW:283.240721464157
CID:974653
PubChem ID:3803553
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- adenosine N(sup 1)-oxide; adenosine 1-oxide; adenosine N1-oxide; Adenosine N1-oxide; adenosine 1-N oxide; Adenosine 1-oxide; Adenosine-N1-oxide; adenosine-N1-oxide; 1-Oxylatoadenosine-1-ium;
- EU-0034006
- SR-01000393936
- 6-AMINO-9-[3,4-DIHYDROXY-5-(HYDROXYMETHYL)OXOLAN-2-YL]-9H-PURIN-1-IUM-1-OLATE
- NSC-135656
- 7013-17-4
- HMS587F11
- NSC135656
- NSC-96007
- AKOS000540905
- NSC96007
- NSC-128561
- NSC-97110
- NSC128561
- 9-pentofuranosyl-9H-purin-6-amine 1-oxide
- NSC97110
- SR-01000393936-1
- 14215-95-3
- NCIOpen2_006277
- ChemDiv1_000121
- AKOS021983901
- STK370032
-
-
- Inchi： 1S/C10H13N5O5/c11-8-5-9(13-3-15(8)19)14(2-12-5)10-7(18)6(17)4(1-16)20-10/h2-4,6-7,10-11,16-19H,1H2
- InChI Key： QHFLZHVITNUFMV-UHFFFAOYSA-N
- SMILES： O1C(CO)C(C(C1N1C=NC2C(=N)N(C=NC1=2)O)O)O
Computed Properties
- Exact Mass: 283.09166853g/mol
- Monoisotopic Mass: 283.09166853g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 20
- Rotatable Bond Count: 2
- Complexity: 434
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -1.5
- Topological Polar Surface Area: 147?2
Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
-
Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
-
Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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