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856570-20-2 | Benzenepropanesulfonic acid, |?-[[(phenylmethoxy)carbonyl]amino]-, (|?S)-
CAS No: 856570-20-2 Catalog No: AG004TH5 MDL No:
Product Description
Catalog Number:
AG004TH5
Chemical Name:
Benzenepropanesulfonic acid, |?-[[(phenylmethoxy)carbonyl]amino]-, (|?S)-
CAS Number:
856570-20-2
Molecular Formula:
C17H19NO5S
Molecular Weight:
349.4015
IUPAC Name:
(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propane-1-sulfonic acid
InChI:
InChI=1S/C17H19NO5S/c19-17(23-12-15-9-5-2-6-10-15)18-16(13-24(20,21)22)11-14-7-3-1-4-8-14/h1-10,16H,11-13H2,(H,18,19)(H,20,21,22)/t16-/m0/s1
InChI Key:
MNWVGCVAJLCHSF-INIZCTEOSA-N
SMILES:
O=C(N[C@H](CS(=O)(=O)O)Cc1ccccc1)OCc1ccccc1
Properties
Complexity:
476
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
349.098g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
349.401g/mol
Monoisotopic Mass:
349.098g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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