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13055-06-6 | Glycine, N-(carboxymethyl)-N-(hexahydro-2,4,6-trioxo-5-pyrimidinyl)-
CAS No: 13055-06-6 Catalog No: AG000UMU MDL No:MFCD00047556
Product Description
Catalog Number:
AG000UMU
Chemical Name:
Glycine, N-(carboxymethyl)-N-(hexahydro-2,4,6-trioxo-5-pyrimidinyl)-
CAS Number:
13055-06-6
Molecular Formula:
C8H9N3O7
Molecular Weight:
259.1730
MDL Number:
MFCD00047556
IUPAC Name:
2-[carboxymethyl-(2,4,6-trioxo-1,3-diazinan-5-yl)amino]acetic acid
InChI:
InChI=1S/C8H9N3O7/c12-3(13)1-11(2-4(14)15)5-6(16)9-8(18)10-7(5)17/h5H,1-2H2,(H,12,13)(H,14,15)(H2,9,10,16,17,18)
InChI Key:
QDHGQJQZPJPKJK-UHFFFAOYSA-N
SMILES:
OC(=O)CN(C1C(=O)NC(=O)NC1=O)CC(=O)O
EC Number:
235-941-8
UNII:
GF5S34DC5T
NSC Number:
28807
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.044g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
259.174g/mol
Monoisotopic Mass:
259.044g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
153A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.1
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