Cas no 69828-00-8 (6H-Purine-6-thione,2-amino-9-[2,3-dideoxy-3-(hydroxymethyl)-a-D-erythro-pentofuranosyl]-1,9-dihydro-)
![6H-Purine-6-thione,2-amino-9-[2,3-dideoxy-3-(hydroxymethyl)-a-D-erythro-pentofuranosyl]-1,9-dihydro- structure](https://ossimg.kuujia.com/scimg/70000/69828-00-8x500.png)
69828-00-8 structure
Product Name:6H-Purine-6-thione,2-amino-9-[2,3-dideoxy-3-(hydroxymethyl)-a-D-erythro-pentofuranosyl]-1,9-dihydro-
CAS No:69828-00-8
MF:C11H15N5O3S
MW:297.333500146866
CID:505219
PubChem ID:3037219
Update Time:2025-04-19
6H-Purine-6-thione,2-amino-9-[2,3-dideoxy-3-(hydroxymethyl)-a-D-erythro-pentofuranosyl]-1,9-dihydro- Chemical and Physical Properties
Names and Identifiers
-
- 6H-Purine-6-thione,2-amino-9-[2,3-dideoxy-3-(hydroxymethyl)-a-D-erythro-pentofuranosyl]-1,9-dihydro-
- 2-amino-9-[(2R,4R,5S)-4,5-bis(hydroxymethyl)oxolan-2-yl]-3H-purine-6-thione
- 6-thioguanine-alpha-2,3-dideoxy-3-(hydroxymethyl)-D-erythro-pentafuranose
- SCHEMBL2408943
- 69828-00-8
- CHEMBL3230223
- DTXSID10220116
- 6H-Purine-6-thione, 2-amino-9-(2,3-dideoxy-3-(hydroxymethyl)-alpha-D-erythro-pentofuranosyl)-1,9-dihydro-
-
- Inchi： 1S/C11H15N5O3S/c12-11-14-9-8(10(20)15-11)13-4-16(9)7-1-5(2-17)6(3-18)19-7/h4-7,17-18H,1-3H2,(H3,12,14,15,20)/t5-,6-,7-/m1/s1
- InChI Key： JFXDHZJSWZPYOX-FSDSQADBSA-N
- SMILES： S=C1C2=C(NC(N)=N1)N(C=N2)[C@H]1C[C@H](CO)[C@@H](CO)O1
Computed Properties
- Exact Mass: 297.08956053g/mol
- Monoisotopic Mass: 297.08956053g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 20
- Rotatable Bond Count: 3
- Complexity: 434
- 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: -1.2
- Topological Polar Surface Area: 150?2
6H-Purine-6-thione,2-amino-9-[2,3-dideoxy-3-(hydroxymethyl)-a-D-erythro-pentofuranosyl]-1,9-dihydro- Related Literature
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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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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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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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
69828-00-8 (6H-Purine-6-thione,2-amino-9-[2,3-dideoxy-3-(hydroxymethyl)-a-D-erythro-pentofuranosyl]-1,9-dihydro-) Related Products
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