Cas no 7357-63-3 (9H-Purine,2,6-diamino-9-(6-deoxy-b-D-allofuranosyl)-,monohydrochloride (8CI))
7357-63-3 structure
Product Name:9H-Purine,2,6-diamino-9-(6-deoxy-b-D-allofuranosyl)-,monohydrochloride (8CI)
CAS No:7357-63-3
MF:C11H17ClN6O4
MW:332.743480443954
CID:579907
PubChem ID:54603594
Update Time:2025-04-19
9H-Purine,2,6-diamino-9-(6-deoxy-b-D-allofuranosyl)-,monohydrochloride (8CI) Chemical and Physical Properties
Names and Identifiers
-
- 9H-Purine,2,6-diamino-9-(6-deoxy-b-D-allofuranosyl)-,monohydrochloride (8CI)
- 2-(2,6-diaminopurin-9-yl)-5-(1-hydroxyethyl)oxolane-3,4-diol,hydrochloride
- NSC-23114
- NSC23114
- 7357-63-3
-
- Inchi： 1S/C11H16N6O4.ClH/c1-3(18)7-5(19)6(20)10(21-7)17-2-14-4-8(12)15-11(13)16-9(4)17;/h2-3,5-7,10,18-20H,1H3,(H4,12,13,15,16);1H
- InChI Key： JXROMLGTGYURJY-UHFFFAOYSA-N
- SMILES： Cl.O1C(C(C(C1C(C)O)O)O)N1C=NC2C(N)=NC(N)=NC1=2
Computed Properties
- Exact Mass: 332.0999807g/mol
- Monoisotopic Mass: 332.0999807g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 22
- Rotatable Bond Count: 2
- Complexity: 390
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 5
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 166?2
9H-Purine,2,6-diamino-9-(6-deoxy-b-D-allofuranosyl)-,monohydrochloride (8CI) Related Literature
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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