chempirical

Edds

C10H16N2O8CAS 20846-91-7292.24 g/mol

Open in Covalent MOL file
OHONHNHOOHOOHOHO
Carboxylic acidSecondary amine

Properties

Molecular formula
C10H16N2O8
Molar mass
292.24 g/mol
Exact mass
292.0907 Da
Melting point
220–222 °C
logP
-1.98Crippen estimate
Polar surface area
173.3 Ų
H-bond donors / acceptors
6 / 6
Rotatable bonds
11
Stereocentres
S, Sin SMILES atom order

Identifiers

CAS number
20846-91-7
SMILES
O=C(O)C[C@H](NCCN[C@@H](CC(=O)O)C(=O)O)C(=O)O
InChIKey
VKZRWSNIWNFCIQ-WDSKDSINSA-N
InChI
InChI=1S/C10H16N2O8/c13-7(14)3-5(9(17)18)11-1-2-12-6(10(19)20)4-8(15)16/h5-6,11-12H,1-4H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/t5-,6-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

18 names · show all
  • L-Aspartic acid, N,N′-1,2-ethanediylbis-
  • Aspartic acid, N,N′-ethylenedi-, L,L-
  • Aspartic acid, N,N′-ethylenedi-
  • N,N′-1,2-Ethanediylbis[L-aspartic acid]
  • N,N′-Ethylenediaminedisuccinic acid
  • L-Ethylenediaminedisuccinic acid
  • EDSS
  • (S,S)-Ethylenediamine-N,N′-disuccinic acid
  • N,N′-Ethylenediaspartic acid
  • N,N′-Bis(1,2-dicarboxyethyl)ethylenediamine
  • (S,S′)-Ethylenediamine-N,N′-disuccinic acid
  • (S,S)-Ethylenediaminedisuccinic acid
  • [S,S]-EDDS
  • Enviomet C 265
  • Ethylenediamine-N,N′-disuccinic acid
  • Chelest EDDS 4H
  • (S,S)-Ethylenediaminesuccinic acid
  • [S,S]-Ethylenediamine-N,N′-disuccinic acid

Work with Edds

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N-Methyl-D-aspartic acid6384-92-563 % similar Carbamoyl aspartic acid923-37-559 % similar Azetidine-2-carboxylic acid2133-34-857 % similar (±)-2-Azetidinecarboxylic acid2517-04-657 % similar (S)-Piperazine-2-carboxylic acid147650-70-257 % similar 1,2,3,4-Butanetetracarboxylic acid1703-58-854 % similar Propane-1,2,3-tricarboxylic acid99-14-954 % similar Proline147-85-353 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Ethylenediaminetetraacetic acid60-00-4

Elsewhere

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