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132776-33-1 | L-Serine, O-(1,1-dimethylethyl)-, methyl ester, 4-methylbenzenesulfonate (1:1)
CAS No: 132776-33-1 Catalog No: AG00114T MDL No:
Product Description
Catalog Number:
AG00114T
Chemical Name:
L-Serine, O-(1,1-dimethylethyl)-, methyl ester, 4-methylbenzenesulfonate (1:1)
CAS Number:
132776-33-1
Molecular Formula:
C15H25NO6S
Molecular Weight:
347.4271
IUPAC Name:
methyl (2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoate;4-methylbenzenesulfonic acid
InChI:
InChI=1S/C8H17NO3.C7H8O3S/c1-8(2,3)12-5-6(9)7(10)11-4;1-6-2-4-7(5-3-6)11(8,9)10/h6H,5,9H2,1-4H3;2-5H,1H3,(H,8,9,10)/t6-;/m0./s1
InChI Key:
NYWGGXRHXSWCLX-RGMNGODLSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)O.COC(=O)[C@H](COC(C)(C)C)N
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
347.14g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
347.426g/mol
Monoisotopic Mass:
347.14g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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