D-Valine, 3-(methylthio)-


Chemical Name: D-Valine, 3-(methylthio)-
CAS Number: 29913-84-6
Product Number: AG00C31B(AGN-PC-0O8PEN)
Synonyms:
MDL No:
Molecular Formula: C6H13NO2S
Molecular Weight: 163.23792

Identification/Properties


Computed Properties
Molecular Weight:
163.235g/mol
XLogP3:
-2.1
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
163.067g/mol
Monoisotopic Mass:
163.067g/mol
Topological Polar Surface Area:
88.6A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
136
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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