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1492-52-0 | L-Serine, O-[(4-methylphenyl)sulfonyl]-N-[(phenylmethoxy)carbonyl]-, methyl ester
CAS No: 1492-52-0 Catalog No: AG001LH0 MDL No:MFCD00237368
Product Description
Catalog Number:
AG001LH0
Chemical Name:
L-Serine, O-[(4-methylphenyl)sulfonyl]-N-[(phenylmethoxy)carbonyl]-, methyl ester
CAS Number:
1492-52-0
Molecular Formula:
C19H21NO7S
Molecular Weight:
407.4375
MDL Number:
MFCD00237368
IUPAC Name:
methyl (2S)-3-(4-methylphenyl)sulfonyloxy-2-(phenylmethoxycarbonylamino)propanoate
InChI:
InChI=1S/C19H21NO7S/c1-14-8-10-16(11-9-14)28(23,24)27-13-17(18(21)25-2)20-19(22)26-12-15-6-4-3-5-7-15/h3-11,17H,12-13H2,1-2H3,(H,20,22)/t17-/m0/s1
InChI Key:
VHGXRGXCDVQIKS-KRWDZBQOSA-N
SMILES:
COC(=O)[C@@H](NC(=O)OCc1ccccc1)COS(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
602
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
407.104g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
407.437g/mol
Monoisotopic Mass:
407.104g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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