Home Carboxys 2-{[(9H-fluoren-9-yl)methoxy]carbonyl}-6,6-dioxo-6lambda6-thia-2-azaspiro[3.4]octane-8-carboxylic acid

2-{[(9H-fluoren-9-yl)methoxy]carbonyl}-6,6-dioxo-6lambda6-thia-2-azaspiro[3.4]octane-8-carboxylic acid

CAS No.:
2138194-65-5
Catalog Number:
AG01EKV4
Molecular Formula:
C22H21NO6S
Molecular Weight:
427.4702
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Product Description
Catalog Number:
AG01EKV4
Chemical Name:
2-{[(9H-fluoren-9-yl)methoxy]carbonyl}-6,6-dioxo-6lambda6-thia-2-azaspiro[3.4]octane-8-carboxylic acid
CAS Number:
2138194-65-5
Molecular Formula:
C22H21NO6S
Molecular Weight:
427.4702
MDL Number:
MFCD31558843
IUPAC Name:
2-(9H-fluoren-9-ylmethoxycarbonyl)-6,6-dioxo-6λ6-thia-2-azaspiro[3.4]octane-8-carboxylic acid
InChI:
InChI=1S/C22H21NO6S/c24-20(25)19-10-30(27,28)13-22(19)11-23(12-22)21(26)29-9-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,18-19H,9-13H2,(H,24,25)
InChI Key:
JJRDFKRMFRCTIO-UHFFFAOYSA-N
SMILES:
OC(=O)C1CS(=O)(=O)CC21CN(C2)C(=O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
792  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
427.109g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
427.471g/mol
Monoisotopic Mass:
427.109g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties