Cas no 15830-54-3 (9H-Purine-8-thiol,6-amino-9-b-D-arabinofuranosyl-,2',3',5'-triacetate (8CI))
15830-54-3 structure
Product Name:9H-Purine-8-thiol,6-amino-9-b-D-arabinofuranosyl-,2',3',5'-triacetate (8CI)
CAS No:15830-54-3
MF:C16H19N5O7S
MW:425.416362047195
CID:228078
PubChem ID:3977402
Update Time:2025-04-19
9H-Purine-8-thiol,6-amino-9-b-D-arabinofuranosyl-,2',3',5'-triacetate (8CI) Chemical and Physical Properties
Names and Identifiers
-
- 9H-Purine-8-thiol,6-amino-9-b-D-arabinofuranosyl-,2',3',5'-triacetate (8CI)
- [3,4-diacetyloxy-5-(6-amino-8-sulfanylidene-7H-purin-9-yl)oxolan-2-yl]methyl acetate
- 6-amino-1,7-dihydro-8H-purine-8-thione
- 6-amino-7,9-dihydro-purine-8-thione
- 6-amino-8-mercaptopurine
- 6-amino-8-purinethiol
- 6-Amino-9H-purine-8-thiol
- 6-Aminopurine-8(9H)-thione
- 6-aminopurine-8-thiol
- 8H-Purine-8-thione, 6-amino-1,7-dihydro-
- 8-mercaptoadenine
- 8-thioadenine
- AC1NS6KV
- adenine-8-thiol
- AE-848
- AG-G-92959
- Meradine
- NSC-107399
- 15830-54-3
- NSC107403
- DTXSID40935887
- 6-Amino-9-(2,3,5-tri-O-acetylpentofuranosyl)-9H-purine-8-thiol
- 15830-60-1
- NSC-107403
- NSC107399
-
- Inchi： 1S/C16H19N5O7S/c1-6(22)25-4-9-11(26-7(2)23)12(27-8(3)24)15(28-9)21-14-10(20-16(21)29)13(17)18-5-19-14/h5,9,11-12,15H,4H2,1-3H3,(H,20,29)(H2,17,18,19)
- InChI Key： CSRUORWUTFSQFB-UHFFFAOYSA-N
- SMILES： S=C1NC2C(N)=NC=NC=2N1C1C(C(C(COC(C)=O)O1)OC(C)=O)OC(C)=O
Computed Properties
- Exact Mass: 425.10067
- Monoisotopic Mass: 425.10051914g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 11
- Heavy Atom Count: 29
- Rotatable Bond Count: 8
- Complexity: 695
- 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
- XLogP3: -0.7
- Topological Polar Surface Area: 187?2
Experimental Properties
- PSA: 155.2
- LogP: 0.97620
9H-Purine-8-thiol,6-amino-9-b-D-arabinofuranosyl-,2',3',5'-triacetate (8CI) Related Literature
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1. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Dongjia Han,Bing Xue,Juan Du,Tomohiro Miyatake,Hitoshi Tamiaki,Xin Xing,Wei Yuan,Yanyan Li Phys. Chem. Chem. Phys., 2016,18, 24252-24260
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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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