| CAS Number | 1955553-07-7 |
| Catalog Number | AG01B2GO |
| Chemical Name | rac-(3aR,6aS)-5-[(tert-butoxy)carbonyl]-2,2-dioxo-hexahydro-1H-2lambda6-thieno[3,4-c]pyrrole-3a-carboxylic acid |
| IUPAC Name | (3aS,6aR)-5-[(2-methylpropan-2-yl)oxycarbonyl]-2,2-dioxo-3,4,6,6a-tetrahydro-1H-thieno[3,4-c]pyrrole-3a-carboxylic acid |
| InChI | InChI=1S/C12H19NO6S/c1-11(2,3)19-10(16)13-4-8-5-20(17,18)7-12(8,6-13)9(14)15/h8H,4-7H2,1-3H3,(H,14,15)/t8-,12-/m1/s1 |
| InChI Key | JVVJJSONLLTUBZ-PRHODGIISA-N |
| MDL Number | MFCD30011417 |
| Molecular Formula | C12H19NO6S |
| Molecular Weight | 305.3474 |
| SMILES | O=C(O)[C@@]12[C@]([H])(CN(C2)C(OC(C)(C)C)=O)CS(C1)(=O)=O |
| Synonyms | ZINC390822135,
EN300-269349,
1955553-07-7,
rac-(3aR,6aS)-5-[(tert-butoxy)carbonyl]-2,2-dioxo-hexahydro-1H-2lambda6-thieno[3,4-c]pyrrole-3a-carboxylic acid, cis,
|
| Complexity | 543 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 305.093g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 305.345g/mol |
| Monoisotopic Mass | 305.093g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 109A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
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Certificate of Analysis
Lot Number