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Molecule
Edds
CAS: 20846-91-7 · C10H16N2O8
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 20846-91-7
- Molecular Formula
- C10H16N2O8
- Molecular Mass
- 292.24 g/mol
Identifiers
CAS Registry Number
20846-91-7
SMILES
O=C(O)C[C@H](NCCN[C@@H](CC(=O)O)C(=O)O)C(=O)O
InChI Key
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
Names and Synonyms
- Edds Synonym
- L-Aspartic acid, N,N′-1,2-ethanediylbis- Synonym
- Aspartic acid, N,N′-ethylenedi-, L,L- Synonym
- Aspartic acid, N,N′-ethylenedi- Synonym
- N,N′-1,2-Ethanediylbis[L-aspartic acid] Synonym
- N,N′-Ethylenediaminedisuccinic acid Synonym
- L-Ethylenediaminedisuccinic acid Synonym
- EDSS Synonym
- (S,S)-Ethylenediamine-N,N′-disuccinic acid Synonym
- N,N′-Ethylenediaspartic acid Synonym
- N,N′-Bis(1,2-dicarboxyethyl)ethylenediamine Synonym
- (S,S′)-Ethylenediamine-N,N′-disuccinic acid Synonym
- (S,S)-Ethylenediaminedisuccinic acid Synonym
- [S,S]-EDDS Synonym
- (S,S)-Ethylenediaminedisuccinic acid Synonym
- Enviomet C 265 Synonym
- EDDS Synonym
- Ethylenediamine-N,N′-disuccinic acid Synonym
- Chelest EDDS 4H Synonym
- (S,S)-Ethylenediaminesuccinic acid Synonym
- [S,S]-Ethylenediamine-N,N′-disuccinic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 292.24 g/mol | CAS Common Chemistry |
| 292.244 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/EDDS | CAS Common Chemistry |
| Canonical SMILES | O=C(O)CC(NCCNC(C(=O)O)CC(=O)O)C(=O)O | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=VKZRWSNIWNFCIQ-WDSKDSINSA-N | CAS Common Chemistry |
| Melting Point | 220-222 °C | CAS Common Chemistry |
| Name | Ethylenediamine-N,N′-disuccinic acid | CAS Common Chemistry |
| EDDS | CAS Common Chemistry | |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 6 | RDKit |
| Rotatable Bonds | 11 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 173.26 Ų | RDKit |
| LogP | -1.9785999999999975 | RDKit |
| -1.9786 | RDKit | |
| Molar Refractivity | 63.35860000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6 | RDKit |
| Exact Mass | 292.09066547199996 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 292.24 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H16N2O8.
