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93369-01-8

93369-01-8 | Glutamine, N-(2-sulfoethyl)-

CAS No: 93369-01-8 Catalog No: AG006G7Z MDL No:

Product Description

Catalog Number:
AG006G7Z
Chemical Name:
Glutamine, N-(2-sulfoethyl)-
CAS Number:
93369-01-8
Molecular Formula:
C7H14N2O6S
Molecular Weight:
254.2609
IUPAC Name:
(2S)-5-amino-5-oxo-2-(2-sulfoethylamino)pentanoic acid
InChI:
InChI=1S/C7H14N2O6S/c8-6(10)2-1-5(7(11)12)9-3-4-16(13,14)15/h5,9H,1-4H2,(H2,8,10)(H,11,12)(H,13,14,15)/t5-/m0/s1
InChI Key:
LONRGKAJEPECOB-YFKPBYRVSA-N
SMILES:
NC(=O)CC[C@@H](C(=O)O)NCCS(=O)(=O)O

Properties

Complexity:
346  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
254.057g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
254.257g/mol
Monoisotopic Mass:
254.057g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
155A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.8  

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