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CAS 1858273-22-9

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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

CAS 1858273-22-9

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 Formula	C₁₀H₁₉NO₅S
Molecular Weight	265.33 g/mol
XLogP3	1.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	265.09839388 g/mol
Monoisotopic Mass	265.09839388 g/mol
Topological Polar Surface Area	81.3 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	390
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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