Cas no 125927-62-0 (3'-Adenylic acid,2'-deoxy-, 1-oxide (9CI))
125927-62-0 structure
Product Name:3'-Adenylic acid,2'-deoxy-, 1-oxide (9CI)
CAS No:125927-62-0
MF:C10H14N5O7P
MW:347.221222400665
CID:205362
PubChem ID:164211
Update Time:2025-04-19
3'-Adenylic acid,2'-deoxy-, 1-oxide (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 3'-Adenylic acid,2'-deoxy-, 1-oxide (9CI)
- 2'-deoxyadenosine N-1-oxide 3'-monophosphate
- 2'-deoxy-1-hydroxyadenosine 3'-(dihydrogen phosphate)
- 3'-Adenylic acid, 2'-deoxy-, 1-oxide
- 3'-Damp-nox
- 125927-62-0
- [(2R,3S,5R)-5-(1-hydroxy-6-iminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
-
- Inchi： 1S/C10H14N5O7P/c11-9-8-10(13-4-15(9)17)14(3-12-8)7-1-5(6(2-16)21-7)22-23(18,19)20/h3-7,11,16-17H,1-2H2,(H2,18,19,20)/t5-,6+,7+/m0/s1
- InChI Key： SIQONOHQLHCTBE-RRKCRQDMSA-N
- SMILES： P(=O)(O)(O)O[C@@H]1[C@@H](CO)O[C@H](C1)N1C=NC2C(=N)N(C=NC1=2)O
Computed Properties
- Exact Mass: 347.06322
- Monoisotopic Mass: 347.06308480g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 23
- Rotatable Bond Count: 4
- Complexity: 556
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -3
- Topological Polar Surface Area: 174?2
Experimental Properties
- PSA: 173.72
3'-Adenylic acid,2'-deoxy-, 1-oxide (9CI) Related Literature
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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