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2D Structure
Also known as: 1858273-22-9, (4r)-2,2-dioxido-4-isopropyl-1,2,3-oxathiazolidine, n-boc protected, (r)-tert-butyl 4-isopropyl-1,2,3-oxathiazolidine-3-carboxylate 2,2-dioxide, Tert-butyl (4r)-2,2-dioxo-4-propan-2-yloxathiazolidine-3-carboxylate, Tert-butyl (r)-4-isopropyl-1,2,3-oxathiazolidine-3-carboxylate 2,2-dioxide, Mfcd17018788
Molecular Formula
C10H19NO5S
Molecular Weight
265.33  g/mol
InChI Key
FWEXSIHWPAKSOP-QMMMGPOBSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
tert-butyl (4R)-2,2-dioxo-4-propan-2-yloxathiazolidine-3-carboxylate
2.1.2 InChI
InChI=1S/C10H19NO5S/c1-7(2)8-6-15-17(13,14)11(8)9(12)16-10(3,4)5/h7-8H,6H2,1-5H3/t8-/m0/s1
2.1.3 InChI Key
FWEXSIHWPAKSOP-QMMMGPOBSA-N
2.1.4 Canonical SMILES
CC(C)C1COS(=O)(=O)N1C(=O)OC(C)(C)C
2.1.5 Isomeric SMILES
CC(C)[C@@H]1COS(=O)(=O)N1C(=O)OC(C)(C)C
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1858273-22-9

2. (4r)-2,2-dioxido-4-isopropyl-1,2,3-oxathiazolidine, N-boc Protected

3. (r)-tert-butyl 4-isopropyl-1,2,3-oxathiazolidine-3-carboxylate 2,2-dioxide

4. Tert-butyl (4r)-2,2-dioxo-4-propan-2-yloxathiazolidine-3-carboxylate

5. Tert-butyl (r)-4-isopropyl-1,2,3-oxathiazolidine-3-carboxylate 2,2-dioxide

6. Mfcd17018788

7. Zinc96838039

8. As-51204

9. Cs-0053089

10. P12122

11. A908247

12. (r)-tert-butyl4-isopropyl-1,2,3-oxathiazolidine-3-carboxylate2,2-dioxide

13. Tert-butyl (r)-4-isopropyl-1,2,3-oxathiazolidine-3-carboxylate2,2-dioxide

14. (4r)-4-i-propyl-1,2,3-oxathiazolidine-2,2-dioxide-3-carboxylic Acid T-butyl Ester

2.3 Create Date
2015-12-11
3 Chemical and Physical Properties
Molecular Weight 265.33 g/mol
Molecular Formula C10H19NO5S
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass265.09839388 g/mol
Monoisotopic Mass265.09839388 g/mol
Topological Polar Surface Area81.3 Ų
Heavy Atom Count17
Formal Charge0
Complexity390
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1