Structure

InChI Key GYBINGQBXROMRS-UHFFFAOYSA-J
Smiles [Na+].[Na+].[Na+].[Na+].[O-]C(=O)CC(NC(CC([O-])=O)C([O-])=O)C([O-])=O
InChI
InChI=1/C8H11NO8.4Na/c10-5(11)1-3(7(14)15)9-4(8(16)17)2-6(12)13;;;;/h3-4,9H,1-2H2,(H,10,11)(H,12,13)(H,14,15)(H,16,17);;;;/q;4*+1/p-4

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H7NNa4O8
Molecular Weight 336.98
AlogP -18.89
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 172.55
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 21.0

Cross References

Resources Reference
CAS NUMBER 144538-83-0
NORMAN SUSDAT
FDA SRS GYS41J2635