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113793-31-0 | L-Threonine, N-[(4-methoxyphenyl)sulfonyl]-
CAS No: 113793-31-0 Catalog No: AG0009PK MDL No:MFCD08442084
Product Description
Catalog Number:
AG0009PK
Chemical Name:
L-Threonine, N-[(4-methoxyphenyl)sulfonyl]-
CAS Number:
113793-31-0
Molecular Formula:
C11H15NO6S
Molecular Weight:
289.3049
MDL Number:
MFCD08442084
IUPAC Name:
(2S,3R)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanoic acid
InChI:
InChI=1S/C11H15NO6S/c1-7(13)10(11(14)15)12-19(16,17)9-5-3-8(18-2)4-6-9/h3-7,10,12-13H,1-2H3,(H,14,15)/t7-,10+/m1/s1
InChI Key:
VJAHSOIECXJUPQ-XCBNKYQSSA-N
SMILES:
COc1ccc(cc1)S(=O)(=O)N[C@H](C(=O)O)[C@H](O)C
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
289.062g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
289.302g/mol
Monoisotopic Mass:
289.062g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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