Sequestrene Na2Cu copper chelate - PubChem Public Chemical Database

Sequestrene Na2Cu copper chelate - Compound Summary (CID 51964)

Table of Contents

Synonyms

Properties Computed from Structure:

Molecular Weight	397.73642 [g/mol]
Molecular Formula	C₁₀H₁₂CuN₂Na₂O₈
H-Bond Donor	0
H-Bond Acceptor	10
Rotatable Bond Count	7
Exact Mass	396.968506
MonoIsotopic Mass	396.968506
Topological Polar Surface Area	167
Heavy Atom Count	23
Formal Charge	0
Complexity	293
Isotope Atom Count	0
Defined Atom StereoCenter Count	0
Undefined Atom StereoCenter Count	0
Defined Bond StereoCenter Count	0
Undefined Bond StereoCenter Count	0
Covalently-Bonded Unit Count	4

Descriptors Computed from Structure:

IUPAC Name: copper disodium
2-[2-[bis(2-oxido-2-oxoethyl)amino]ethyl-(2-oxido-2-oxoethyl)amino]
acetate
Canonical SMILES: C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Cu+2]
InChI: InChI=1S/C10H16N2O8.Cu.2Na/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10
(19)20;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;/q;+2;2*+1/p-4

InChIKey: KCFCAUKZKOSSBI-UHFFFAOYSA-J

Compound Information:

CID 51964

Create Date: 2005-08-08

Parent CID 6049

Unique Components: 3 Links

Similar Compounds: 123 Links