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119593-66-7 | D-Threonine,4-(methylthio)- (9CI)
CAS No: 119593-66-7 Catalog No: AG000P8I MDL No:
Product Description
Catalog Number:
AG000P8I
Chemical Name:
D-Threonine,4-(methylthio)- (9CI)
CAS Number:
119593-66-7
Molecular Formula:
C5H11NO3S
Molecular Weight:
165.2107
IUPAC Name:
(2R,3R)-2-amino-3-hydroxy-4-methylsulfanylbutanoic acid
InChI:
InChI=1S/C5H11NO3S/c1-10-2-3(7)4(6)5(8)9/h3-4,7H,2,6H2,1H3,(H,8,9)/t3-,4+/m0/s1
InChI Key:
GFJWMGGGLQICCP-IUYQGCFVSA-N
SMILES:
CSC[C@@H]([C@H](C(=O)O)N)O
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
165.046g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
165.207g/mol
Monoisotopic Mass:
165.046g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.3
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