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110157-92-1

110157-92-1 | Glycine,N,N-bis[2-[2-(4,5-dihydro-2-methyl-5-nitro-1H-imidazol-1-yl)ethoxy]-2-oxoethyl]-(9CI)

CAS No: 110157-92-1 Catalog No: AG007DV3 MDL No:

Product Description

Catalog Number:
AG007DV3
Chemical Name:
Glycine,N,N-bis[2-[2-(4,5-dihydro-2-methyl-5-nitro-1H-imidazol-1-yl)ethoxy]-2-oxoethyl]-(9CI)
CAS Number:
110157-92-1
Molecular Formula:
C18H27N7O10
Molecular Weight:
501.4479
IUPAC Name:
2-[bis[2-[2-(2-methyl-5-nitro-4,5-dihydroimidazol-1-yl)ethoxy]-2-oxoethyl]amino]acetic acid
InChI:
InChI=1S/C18H27N7O10/c1-12-19-7-14(24(30)31)22(12)3-5-34-17(28)10-21(9-16(26)27)11-18(29)35-6-4-23-13(2)20-8-15(23)25(32)33/h14-15H,3-11H2,1-2H3,(H,26,27)
InChI Key:
IWQYJOPBZLJIMU-UHFFFAOYSA-N
SMILES:
OC(=O)CN(CC(=O)OCCN1C(=NCC1[N+](=O)[O-])C)CC(=O)OCCN1C(=NCC1[N+](=O)[O-])C

Properties

Complexity:
833  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
501.182g/mol
Formal Charge:
0
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
13  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
501.453g/mol
Monoisotopic Mass:
501.182g/mol
Rotatable Bond Count:
14  
Topological Polar Surface Area:
216A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.4  

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