1,3-Butanediol, cyclic sulfate
CAS 4426-50-0 MFCD00142517
化学结构图
SMILES: C[C@H]1CCOS(=O)(=O)O1
化学属性
| Mol. Formula | C4H8O4S |
|---|---|
| Mol. Weight | 152.18 |
别名和识别编码
| Chemical Name | 1,3-Butanediol, cyclic sulfate |
|---|---|
| Synonym | 1,3-Butylene sulfate (R,S)-4-Methyl-[1,3,2]dioxathiane 2,2-dioxide 1-Methyltrimethylene sulfate 1,3,2-Dioxathiane, 4-methyl-, 2,2-dioxide 4-Methyl-1,3,2-dioxathiane 2,2-dioxide |
| Wiswesser Line Notation | T6OSWOTJ D1 |
| CAS Number | 4426-50-0 |
| Beilstein Registry Number | 1238505 |
| InChIKey | KLXMOOWASHTDLR-UHFFFAOYSA-N |
| PubChem Substance ID | 20480 |
| InChI | InChI=1S/C4H8O4S/c1-4-2-3-7-9(5,6)8-4/h4H,2-3H2,1H3 |
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分类
- {uni_hamburg} no charge; oxygen heterocycle; sulfur heterocycle; alicycle; 6RingOnly; 6ring; racemate; 1fragment
相关文献及参考
- Short: III/35E Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Oxygen-17 Author: Duddeck, H.; Toth, G.; Simon, A. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35E Year: 2002 Keyword: Alipathic and Aromatic hydrocarbons; Coupling constant j; Nuclear Magnetic Resonance; chemical shifts δ ISBN: 3-540-42501-2 ISBN: 978-3-540-42501-4 Internet Resource: DOI:10.1007/b92953 RefComment: VII, 230 pages. With CD-ROM., Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), carbon-13 (subvol. D), and oxygen-17 (subvol. E) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data, chemical shifts and coupling constants are provided on CD-ROM's.
安全信息
TYPE OF TEST : Mutation in microorganisms TEST SYSTEM : Bacteria - Salmonella typhimurium DOSE/DURATION : 100 nmol/plate REFERENCE : CBINA8 Chemico-Biological Interactions. (Elsevier Scientific Pub. Ireland Ltd., POB 85, Limerick, Ireland) V.1- 1969- Volume(issue)/page/year: 19,241,1977
TYPE OF TEST : Host-mediated assay TEST SYSTEM : Rodent - mouse Bacteria - Salmonella typhimurium DOSE/DURATION : 50 umol/kg REFERENCE : CBINA8 Chemico-Biological Interactions. (Elsevier Scientific Pub. Ireland Ltd., POB 85, Limerick, Ireland) V.1- 1969- Volume(issue)/page/year: 19,241,1977
TYPE OF TEST : DNA repair TEST SYSTEM : Microorganism - not otherwise specified DOSE/DURATION : 760 ug/plate REFERENCE : BIZNAT Biologisches Zentralblatt. (VEB Georg Thieme, Postfach 946, Leipzig DDR-7010, Ger. Dem. Rep.) V.1- 1881- Volume(issue)/page/year: 95,463,1976
