Home Sulfos (S)-3-hydroxy-2-(2,4,6-triisopropylphenylsulfonamido)propanoic acid

(S)-3-hydroxy-2-(2,4,6-triisopropylphenylsulfonamido)propanoic acid

CAS No.:
159155-05-2
Catalog Number:
AG01DFXB
Molecular Formula:
C18H29NO5S
Molecular Weight:
371.4916
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Product Description
Catalog Number:
AG01DFXB
Chemical Name:
(S)-3-hydroxy-2-(2,4,6-triisopropylphenylsulfonamido)propanoic acid
CAS Number:
159155-05-2
Molecular Formula:
C18H29NO5S
Molecular Weight:
371.4916
MDL Number:
MFCD31652397
IUPAC Name:
(2S)-3-hydroxy-2-[[2,4,6-tri(propan-2-yl)phenyl]sulfonylamino]propanoic acid
InChI:
InChI=1S/C18H29NO5S/c1-10(2)13-7-14(11(3)4)17(15(8-13)12(5)6)25(23,24)19-16(9-20)18(21)22/h7-8,10-12,16,19-20H,9H2,1-6H3,(H,21,22)/t16-/m0/s1
InChI Key:
ONSICJUKYJYQGH-INIZCTEOSA-N
SMILES:
OC[C@@H](C(=O)O)NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C
Properties
Complexity:
520  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
371.177g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
371.492g/mol
Monoisotopic Mass:
371.177g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties