Home Other Building Blocks N-[(2,5-DIMETHYLPHENYL)SULFONYL]VALINE

N-[(2,5-DIMETHYLPHENYL)SULFONYL]VALINE

CAS No.:
1009346-46-6
Catalog Number:
AG00902M
Molecular Formula:
C13H19NO4S
Molecular Weight:
285.3593
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00902M
Chemical Name:
N-[(2,5-DIMETHYLPHENYL)SULFONYL]VALINE
CAS Number:
1009346-46-6
Molecular Formula:
C13H19NO4S
Molecular Weight:
285.3593
MDL Number:
MFCD04444228
IUPAC Name:
2-[(2,5-dimethylphenyl)sulfonylamino]-3-methylbutanoic acid
InChI:
InChI=1S/C13H19NO4S/c1-8(2)12(13(15)16)14-19(17,18)11-7-9(3)5-6-10(11)4/h5-8,12,14H,1-4H3,(H,15,16)
InChI Key:
RSFWLMSKHBUENF-UHFFFAOYSA-N
SMILES:
CC(C(C(=O)O)NS(=O)(=O)c1cc(C)ccc1C)C
Properties
Complexity:
413  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.103g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
285.358g/mol
Monoisotopic Mass:
285.103g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties