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150609-91-9 | L-Valine, N-(4-morpholinylsulfonyl)-
CAS No: 150609-91-9 Catalog No: AG001MRJ MDL No:
Product Description
Catalog Number:
AG001MRJ
Chemical Name:
L-Valine, N-(4-morpholinylsulfonyl)-
CAS Number:
150609-91-9
Molecular Formula:
C9H18N2O5S
Molecular Weight:
266.3146
IUPAC Name:
(2S)-3-methyl-2-(morpholin-4-ylsulfonylamino)butanoic acid
InChI:
InChI=1S/C9H18N2O5S/c1-7(2)8(9(12)13)10-17(14,15)11-3-5-16-6-4-11/h7-8,10H,3-6H2,1-2H3,(H,12,13)/t8-/m0/s1
InChI Key:
NRPLYAOFFYZZRJ-QMMMGPOBSA-N
SMILES:
CC([C@@H](C(=O)O)NS(=O)(=O)N1CCOCC1)C
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
266.094g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
266.312g/mol
Monoisotopic Mass:
266.094g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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