Cas no 62086-58-2 (Adenosine, N-benzoyl-7,8-dihydro-8-oxo-)
62086-58-2 structure
Product Name:Adenosine, N-benzoyl-7,8-dihydro-8-oxo-
CAS No:62086-58-2
MF:C17H17N5O6
MW:387.346783399582
CID:458721
PubChem ID:71390124
Update Time:2025-04-19
Adenosine, N-benzoyl-7,8-dihydro-8-oxo- Chemical and Physical Properties
Names and Identifiers
-
- Adenosine, N-benzoyl-7,8-dihydro-8-oxo-
- N-[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-oxo-7H-purin-6-yl]benzamide
- N-{9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-oxo-8,9-dihydro-7H-purin-6-yl}benzamide
- N-Benzoyl-8-oxo-8-hydroadenosine
- DTXSID50812059
- N-(9-((2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-8-oxo-8,9-dihydro-7H-purin-6-yl)benzamide
- 62086-58-2
- SCHEMBL23216968
-
- Inchi： 1S/C17H17N5O6/c23-6-9-11(24)12(25)16(28-9)22-14-10(20-17(22)27)13(18-7-19-14)21-15(26)8-4-2-1-3-5-8/h1-5,7,9,11-12,16,23-25H,6H2,(H,20,27)(H,18,19,21,26)/t9-,11-,12-,16-/m1/s1
- InChI Key： GRUARNRJROQPIB-UBEDBUPSSA-N
- SMILES： O1[C@H](CO)[C@H]([C@H]([C@@H]1N1C(NC2C(NC(C3C=CC=CC=3)=O)=NC=NC1=2)=O)O)O
Computed Properties
- Exact Mass: 387.11801
- Monoisotopic Mass: 387.11788328g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 28
- Rotatable Bond Count: 4
- Complexity: 603
- 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: -1
- Topological Polar Surface Area: 157?2
Experimental Properties
- PSA: 157.14
Adenosine, N-benzoyl-7,8-dihydro-8-oxo- Related Literature
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Ruili Liu,Mengping Gao,Jing Zhang,Zhilian Li,Jinyang Chen,Ping Liu,Dongqing Wu RSC Adv., 2015,5, 24205-24209
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2. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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