Cas no 125073-27-0 (1,2-Cyclopentanediol,3-(2,6-diamino-9H-purin-9-yl)-5-(hydroxymethyl)-, (1R,2S,3S,5S)-rel-)
125073-27-0 structure
Product Name:1,2-Cyclopentanediol,3-(2,6-diamino-9H-purin-9-yl)-5-(hydroxymethyl)-, (1R,2S,3S,5S)-rel-
CAS No:125073-27-0
MF:C11H16N6O3
MW:280.283141136169
CID:149231
PubChem ID:130346
Update Time:2025-04-19
1,2-Cyclopentanediol,3-(2,6-diamino-9H-purin-9-yl)-5-(hydroxymethyl)-, (1R,2S,3S,5S)-rel- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Cyclopentanediol,3-(2,6-diamino-9H-purin-9-yl)-5-(hydroxymethyl)-, (1R,2S,3S,5S)-rel-
- 3-(2,6-diamino-9H-purin-9-yl)-5-(hydroxymethyl)-1,2-cyclopentanediol
- 3-(2,6-diaminopurin-9-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol
- (1alpha,2alpha,3alpha,5alpha)-(+-)-3-(2,6-Diamino-9H-purin-9-yl)-5-(hydroxymethyl)-1,2-cyclopentanediol
- 1,2-Cyclopentanediol, 3-(2,6-diamino-9H-purin-9-yl)-5-(hydroxymethyl)-, (1alpha,2alpha,3alpha,5alpha)-(+-)-
- 3-(2,6-diamino-9H-purin-9-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol
- 3-Dphmc
- SCHEMBL10673149
- 125073-27-0
- CHEMBL20353
- NSC-613819
- NSC613819
-
- Inchi： 1S/C11H16N6O3/c12-9-6-10(16-11(13)15-9)17(3-14-6)5-1-4(2-18)7(19)8(5)20/h3-5,7-8,18-20H,1-2H2,(H4,12,13,15,16)
- InChI Key： ZLJQBJBJBIATTP-UHFFFAOYSA-N
- SMILES： OC1C(C(CO)CC1N1C=NC2C(N)=NC(N)=NC1=2)O
Computed Properties
- Exact Mass: 280.12858
- Monoisotopic Mass: 280.12838839g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 20
- Rotatable Bond Count: 2
- Complexity: 361
- 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
- Surface Charge: 0
- Tautomer Count: 9
- XLogP3: -1.7
- Topological Polar Surface Area: 156?2
Experimental Properties
- PSA: 156.33
1,2-Cyclopentanediol,3-(2,6-diamino-9H-purin-9-yl)-5-(hydroxymethyl)-, (1R,2S,3S,5S)-rel- Related Literature
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
-
Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
-
3. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
-
David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
-
Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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