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Home > Other Building Blocks > 88224-00-4
88224-00-4 | H-Phe-Oall.TosOH
CAS No: 88224-00-4 Catalog No: AG004D8N MDL No:MFCD00043306
Product Description
Catalog Number:
AG004D8N
Chemical Name:
H-Phe-Oall.TosOH
CAS Number:
88224-00-4
Molecular Formula:
C19H23NO5S
Molecular Weight:
377.4546
MDL Number:
MFCD00043306
IUPAC Name:
4-methylbenzenesulfonic acid;prop-2-enyl (2S)-2-amino-3-phenylpropanoate
InChI:
InChI=1S/C12H15NO2.C7H8O3S/c1-2-8-15-12(14)11(13)9-10-6-4-3-5-7-10;1-6-2-4-7(5-3-6)11(8,9)10/h2-7,11H,1,8-9,13H2;2-5H,1H3,(H,8,9,10)/t11-;/m0./s1
InChI Key:
PKXPRZFLCJFMHN-MERQFXBCSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)O.C=CCOC(=O)[C@H](Cc1ccccc1)N
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
377.13g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
377.455g/mol
Monoisotopic Mass:
377.13g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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