Home Carboxys rac-(3aR,6aS)-5-[(tert-butoxy)carbonyl]-2,2-dioxo-hexahydro-1H-2lambda6-thieno[3,4-c]pyrrole-3a-carboxylic acid, cis

rac-(3aR,6aS)-5-[(tert-butoxy)carbonyl]-2,2-dioxo-hexahydro-1H-2lambda6-thieno[3,4-c]pyrrole-3a-carboxylic acid, cis

CAS No.:
1955553-07-7
Catalog Number:
AG01B2GO
Molecular Formula:
C12H19NO6S
Molecular Weight:
305.3474
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Product Description
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, cis
CAS Number:
1955553-07-7
Molecular Formula:
C12H19NO6S
Molecular Weight:
305.3474
MDL Number:
MFCD30011417
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
SMILES:
O=C(N1C[C@H]2[C@@](C1)(CS(=O)(=O)C2)C(=O)O)OC(C)(C)C
Properties
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  
Properties