Cas no 13039-46-8 (Inosine,2'-O-methyl-6-thio- (9CI))
13039-46-8 structure
Product Name:Inosine,2'-O-methyl-6-thio- (9CI)
CAS No:13039-46-8
MF:C11H14N4O4S
MW:298.318260669708
CID:237436
PubChem ID:4257533
Update Time:2025-04-19
Inosine,2'-O-methyl-6-thio- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Inosine,2'-O-methyl-6-thio- (9CI)
- 9-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-3H-purine-6-thione
- AC1N6BVY
- NSC105018
- O2'-methyl-6-thio-inosine
- DTXSID70401308
- 13039-46-8
- NSC-105018
-
- Inchi： 1S/C11H14N4O4S/c1-18-8-7(17)5(2-16)19-11(8)15-4-14-6-9(15)12-3-13-10(6)20/h3-5,7-8,11,16-17H,2H2,1H3,(H,12,13,20)
- InChI Key： SOROVCDOYSTJKB-UHFFFAOYSA-N
- SMILES： S=C1C2=C(NC=N1)N(C=N2)C1C(C(C(CO)O1)O)OC
Computed Properties
- Exact Mass: 298.07372
- Monoisotopic Mass: 298.07357611g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 20
- Rotatable Bond Count: 3
- Complexity: 423
- 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: -0.1
- Topological Polar Surface Area: 133?2
Experimental Properties
- PSA: 101.13
- LogP: -0.24550
Inosine,2'-O-methyl-6-thio- (9CI) Related Literature
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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