Home Carboxys 8-{[(tert-butoxy)carbonyl]amino}-5,5-dioxo-5lambda6-thiaspiro[3.5]nonane-2-carboxylic acid

8-{[(tert-butoxy)carbonyl]amino}-5,5-dioxo-5lambda6-thiaspiro[3.5]nonane-2-carboxylic acid

CAS No.:
2137592-24-4
Catalog Number:
AG01EKSI
Molecular Formula:
C14H23NO6S
Molecular Weight:
333.4005
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Product Description
Catalog Number:
AG01EKSI
Chemical Name:
8-{[(tert-butoxy)carbonyl]amino}-5,5-dioxo-5lambda6-thiaspiro[3.5]nonane-2-carboxylic acid
CAS Number:
2137592-24-4
Molecular Formula:
C14H23NO6S
Molecular Weight:
333.4005
MDL Number:
MFCD31459882
IUPAC Name:
8-[(2-methylpropan-2-yl)oxycarbonylamino]-5,5-dioxo-5λ6-thiaspiro[3.5]nonane-2-carboxylic acid
InChI:
InChI=1S/C14H23NO6S/c1-13(2,3)21-12(18)15-10-4-5-22(19,20)14(8-10)6-9(7-14)11(16)17/h9-10H,4-8H2,1-3H3,(H,15,18)(H,16,17)
InChI Key:
YTIOXPCDSRNACQ-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC1CCS(=O)(=O)C2(C1)CC(C2)C(=O)O
Properties
Complexity:
565  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.125g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
333.399g/mol
Monoisotopic Mass:
333.125g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties