1,3-Butanediol, cyclic sulfate

CAS 4426-50-0 MFCD00142517

化学结构图

4426-50-0
SMILES: C[C@H]1CCOS(=O)(=O)O1

化学属性

Mol. FormulaC4H8O4S
Mol. Weight152.18

别名和识别编码

Chemical Name1,3-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 NotationT6OSWOTJ D1
CAS Number4426-50-0
Beilstein Registry Number1238505
InChIKeyKLXMOOWASHTDLR-UHFFFAOYSA-N
PubChem Substance ID20480
InChIInChI=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

RTECSEK1100000 
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

系列性分类

  1. Functional Group 官能团索引
  2. sulfuric acid diester

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