EDTA
C₁₀H₁₆N₂O₈·292.240 g/mol·CID 6049
IUPAC: 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid
Also known as: Ethylenediaminetetraacetic acid, Edetic acid, 60-00-4, Edathamil, Sequestrol (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
292.240g/mol
Exact Mass
292.090665Da
Monoisotopic Mass
292.090665Da
XLogP
-5.9
Polar Surface Area
156.0Ų
Complexity
315
Formal Charge
0
H-Bond Donors
4
H-Bond Acceptors
10
Rotatable Bonds
11
Heavy Atoms
20
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 292.2 g/mol
MW ≤ 500
✓ -5.9
LogP ≤ 5
✓ 4
H-bond donors ≤ 5
✓ 10
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
GHS Hazard Classification
Danger
Hazards
H319Causes serious eye irritationH332Harmful if inhaledH373May causes damage to organs through prolonged or repeated exposureH302Harmful if swallowedH312Harmful in contact with skinH315Causes skin irritationH335May cause respiratory irritationH412Harmful to aquatic life with long lasting effectsH320Causes eye irritationH361Suspected of damaging fertility or the unborn child
Source: PubChem GHS Classification. Always consult the SDS for handling.
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C10H16N2O8/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)
Isomers8 compounds with formula C₁₀H₁₆N₂O₈
(2S)-2-[2-[[(1S)-1,2-dicarboxyethyl]amino]ethylamino]butanedioic acid
CID 497266 · 292.2 g/mol
2-[2-[carboxylatomethyl(carboxymethyl)azaniumyl]ethyl-(carboxymethyl)azaniumyl]acetate
CID 5232305 · 292.2 g/mol
2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;hydron
CID 173165358 · 292.2 g/mol
2-[2-(1,2-dicarboxyethylamino)ethylamino]butanedioic acid
CID 123395 · 292.2 g/mol
2-[[2-[bis[carboxy(dideuterio)methyl]amino]-1,1,2,2-tetradeuterioethyl]-[carboxy(dideuterio)methyl]amino]-2,2-dideuterioacetic acid
CID 16213435 · 304.3 g/mol
deuterio 2-[2-[bis(2-deuteriooxy-2-oxoethyl)amino]ethyl-(2-deuteriooxy-2-oxoethyl)amino]acetate
CID 16217600 · 296.3 g/mol
[acetyloxy-[2-(diacetyloxyamino)ethyl]amino] acetate
CID 14094985 · 292.2 g/mol
2-[2-aminoethyl(1,2-dicarboxyethyl)amino]butanedioic acid
CID 15375363 · 292.2 g/mol