disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;dioxido-oxo-sulfanylidene-λ6-sulfane

C10H16N2Na2O11S2 — CID 159102404

About disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;dioxido-oxo-sulfanylidene-λ6-sulfane

disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;dioxido-oxo-sulfanylidene-λ6-sulfane (PubChem CID 159102404) has the molecular formula C10H16N2Na2O11S2 and a molecular weight of 450.36 g/mol. Its IUPAC name is disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;dioxido-oxo-sulfanylidene-λ6-sulfane.

Molecular Properties

• Compound Name: disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;dioxido-oxo-sulfanylidene-λ6-sulfane
• PubChem CID: 159102404
• Molecular Formula: C10H16N2Na2O11S2
• Molecular Weight: 450.36 g/mol
• Exact Mass: 450.00
• IUPAC Name: disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;dioxido-oxo-sulfanylidene-λ6-sulfane
• SMILES: O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O.O=S([O-])([O-])=S.[Na+].[Na+]
• InChI: InChI=1S/C10H16N2O8.2Na.H2O3S2/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;1-5(2,3)4/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;(H2,1,2,3,4)/q;2*+1;/p-2
• InChIKey: KDLJWVPVSRFAGX-UHFFFAOYSA-L
• XLogP: -9.07
• TPSA: 218.87 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.36
LogP ≤ 5	-9.07
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;dioxido-oxo-sulfanylidene-λ6-sulfane?

The IUPAC name of disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;dioxido-oxo-sulfanylidene-λ6-sulfane (CID 159102404) is disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;dioxido-oxo-sulfanylidene-λ6-sulfane.

What is the SMILES notation for disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;dioxido-oxo-sulfanylidene-λ6-sulfane?

The canonical SMILES for disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;dioxido-oxo-sulfanylidene-λ6-sulfane is O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O.O=S([O-])([O-])=S.[Na+].[Na+].

What is the InChIKey of disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;dioxido-oxo-sulfanylidene-λ6-sulfane?

The InChIKey is KDLJWVPVSRFAGX-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H16N2O8.2Na.H2O3S2/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;1-5(2,3)4/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;(H2,1,2,3,4)/q;2*+1;/p-2.

What are the key properties of disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;dioxido-oxo-sulfanylidene-λ6-sulfane?

disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;dioxido-oxo-sulfanylidene-λ6-sulfane has a molecular weight of 450.36 g/mol, XLogP of -9.07, 11 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;dioxido-oxo-sulfanylidene-λ6-sulfane is sourced from PubChem (CID 159102404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).