Cas no 23583-49-5 (2'-Adenylic acid,8-bromo- (9CI))
23583-49-5 structure
Product Name:2'-Adenylic acid,8-bromo- (9CI)
CAS No:23583-49-5
MF:C10H13BrN5O7P
MW:426.117281675339
CID:260233
PubChem ID:161426
Update Time:2025-04-19
2'-Adenylic acid,8-bromo- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 2'-Adenylic acid,8-bromo- (9CI)
- [(2R,3R,4R,5R)-2-(6-amino-8-bromopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
- 2'-Adenylic acid, 8-bromo-
- DTXSID50178223
- 8-Bromo-2'-amp
- 23583-49-5
-
- Inchi： 1S/C10H13BrN5O7P/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-6(23-24(19,20)21)5(18)3(1-17)22-9/h2-3,5-6,9,17-18H,1H2,(H2,12,13,14)(H2,19,20,21)/t3-,5-,6-,9-/m1/s1
- InChI Key： XGLRXXJRGLGBEM-UUOKFMHZSA-N
- SMILES： BrC1=NC2C(N)=NC=NC=2N1[C@H]1[C@@H]([C@@H]([C@@H](CO)O1)O)OP(=O)(O)O
Computed Properties
- Exact Mass: 424.97369
- Monoisotopic Mass: 424.97360g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 11
- Heavy Atom Count: 24
- Rotatable Bond Count: 4
- Complexity: 514
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -2
- Topological Polar Surface Area: 186?2
Experimental Properties
- PSA: 186.07
2'-Adenylic acid,8-bromo- (9CI) Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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