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13073-35-3

13073-35-3 | L-Homocysteine, S-ethyl-

CAS No: 13073-35-3 Catalog No: AG000UWC MDL No:MFCD00002626

Product Description

Catalog Number:
AG000UWC
Chemical Name:
L-Homocysteine, S-ethyl-
CAS Number:
13073-35-3
Molecular Formula:
C6H13NO2S
Molecular Weight:
163.2379
MDL Number:
MFCD00002626
IUPAC Name:
(2S)-2-amino-4-ethylsulfanylbutanoic acid
InChI:
InChI=1S/C6H13NO2S/c1-2-10-4-3-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1
InChI Key:
GGLZPLKKBSSKCX-YFKPBYRVSA-N
SMILES:
CCSCC[C@@H](C(=O)O)N
EC Number:
235-966-4
UNII:
WX1BN24WZT

Properties

Complexity:
108  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
163.067g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
163.235g/mol
Monoisotopic Mass:
163.067g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
88.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5  

Literature

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