Cas no 18520-92-8 (9H-Purine-6-thiol,9-b-D-xylopyranosyl-, 2',3',4'-triacetate(8CI))
18520-92-8 structure
Product Name:9H-Purine-6-thiol,9-b-D-xylopyranosyl-, 2',3',4'-triacetate(8CI)
CAS No:18520-92-8
MF:C16H18N4O7S
MW:410.401722431183
CID:236669
PubChem ID:4027169
Update Time:2025-04-19
9H-Purine-6-thiol,9-b-D-xylopyranosyl-, 2',3',4'-triacetate(8CI) Chemical and Physical Properties
Names and Identifiers
-
- 9H-Purine-6-thiol,9-b-D-xylopyranosyl-, 2',3',4'-triacetate(8CI)
- [4,5-diacetyloxy-6-(6-sulfanylidene-3H-purin-9-yl)oxan-3-yl] acetate
- 6-Mercapto-4-methyl-2-trifluormethyl-pyrimidin
- 6-methyl-2-trifluoromethyl-3H-pyrimidine-4-thione
- AC1ND13M
- CTK8J8904
- NSC55491
- NSC-106755
- 18520-92-8
- DTXSID00939942
- NSC106755
- NSC-114913
- 18520-87-1
- NSC114913
- NSC-116349
- NSC116349
- 9-(2,3,4-Tri-O-acetylpentopyranosyl)-9H-purine-6-thiol
-
- Inchi： 1S/C16H18N4O7S/c1-7(21)25-10-4-24-16(13(27-9(3)23)12(10)26-8(2)22)20-6-19-11-14(20)17-5-18-15(11)28/h5-6,10,12-13,16H,4H2,1-3H3,(H,17,18,28)
- InChI Key： IVXYSWRPBSFNFF-UHFFFAOYSA-N
- SMILES： S=C1C2=C(NC=N1)N(C=N2)C1C(C(C(CO1)OC(C)=O)OC(C)=O)OC(C)=O
Computed Properties
- Exact Mass: 410.08974
- Monoisotopic Mass: 410.09
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 28
- Rotatable Bond Count: 7
- Complexity: 703
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.4
- Topological Polar Surface Area: 162?2
Experimental Properties
- Density: 1.61g/cm3
- Boiling Point: 595.9oC at 760mmHg
- Flash Point: 314.2oC
- Refractive Index: 1.688
- PSA: 130.34
- LogP: 0.81280
9H-Purine-6-thiol,9-b-D-xylopyranosyl-, 2',3',4'-triacetate(8CI) Related Literature
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1. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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