Cas no 2946-43-2 (6H-Purine-6-thione,9-(6-deoxy-b-D-allofuranosyl)-1,9-dihydro-)
2946-43-2 structure
Product Name:6H-Purine-6-thione,9-(6-deoxy-b-D-allofuranosyl)-1,9-dihydro-
CAS No:2946-43-2
MF:C11H14N4O4S
MW:298.318260669708
CID:262659
PubChem ID:3034648
Update Time:2025-04-19
6H-Purine-6-thione,9-(6-deoxy-b-D-allofuranosyl)-1,9-dihydro- Chemical and Physical Properties
Names and Identifiers
-
- 6H-Purine-6-thione,9-(6-deoxy-b-D-allofuranosyl)-1,9-dihydro-
- 9H-Purine-6-thiol, 9-(6-deoxy-.beta.-D-allofuranosyl)-
- 9H-Purine-6-thiol, 9-(6-deoxy-.β.-D-allofuranosyl)-
- 6H-Purine-6-thione, 9-(6-deoxy-beta-D-allofuranosyl)-1,9-dihydro-
- 9-(6'-Deoxy-beta-D-allofuranosyl)-6-thiopurine
- NSC 409352
- 9H-Purine-6-thiol, 9-(6-deoxy-beta-D-allofuranosyl)-
- 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]-3H-purine-6-thione
- 9-Dafp
- 2946-43-2
-
- Inchi： 1S/C11H14N4O4S/c1-4(16)8-6(17)7(18)11(19-8)15-3-14-5-9(15)12-2-13-10(5)20/h2-4,6-8,11,16-18H,1H3,(H,12,13,20)/t4-,6+,7-,8-,11-/m1/s1
- InChI Key： LMTPULIBTJWSQT-RWONEVQGSA-N
- SMILES： S=C1C2=C(NC=N1)N(C=N2)[C@H]1[C@@H]([C@@H]([C@@H]([C@@H](C)O)O1)O)O
Computed Properties
- Exact Mass: 298.07400
- Monoisotopic Mass: 298.074
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 20
- Rotatable Bond Count: 2
- Complexity: 437
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: _0.2
- Topological Polar Surface Area: 144?2
Experimental Properties
- Density: 1.92
- Boiling Point: 690°Cat760mmHg
- Flash Point: 371.1°C
- Refractive Index: 1.857
- PSA: 148.51000
- LogP: -0.51110
6H-Purine-6-thione,9-(6-deoxy-b-D-allofuranosyl)-1,9-dihydro- Related Literature
-
Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
-
Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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3. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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