HuagongsheHuagongshe Chemistry Print Report · For research reference only
CDP-Ethanolamine
CDP-Ethanolamine · Cytidine diphosphate ethanolamine · Cytidine 5'-diphosphate ethanolamine · Azacitidine Impurity 51 · Cytidine 5'-Diphosphate Etha · Citicoline Impurity 7 Monomer · Cytidine 5′-diphosphoethanolamine · Cytidine Pyrophosphate 2-AMinoethyl Ester
Identifiers & Physical Properties
| CAS No. | 3036-18-8 |
|---|---|
| Molecular formula | C11H20N4O11P2 |
| Average molar mass | 446.24 g/mol |
| Monoisotopic mass | 446.06038146 g/mol |
| SMILES | NCCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O |
| InChIKey | WVIMUEUQJFPNDK-PEBGCTIMSA-N |
| PubChem CID | 123727 |
| ChEBI | CHEBI:16732 |
| DTXSID | DTXSID30952705 |
Chemical & Physical Properties
| XLogP | -7.2 |
|---|---|
| Topological polar surface area | 237 |
| Hydrogen bond donors | 6 |
| Hydrogen bond acceptors | 12 |
| Rotatable bonds | 9 |
| Heavy atoms | 28 |
| Formal charge | 0 |
| Complexity | 746 |
| Physical Description | Solid |
| Collision Cross Section | 188.2 Ų [M-H]- [CCS Type: DTMethod: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]188.1 Ų [M-H]- |
| Melting point | >164°C (dec.) |
| Boiling point | 736.0±70.0 °C(Predicted) |
| Density | 2.13±0.1 g/cm3(Predicted) |
| Storage conditions | Hygroscopic, -20°C Freezer, Under inert atmosphere |
| Solubility | Water (Slightly) |
| pKa (acidity coefficient) | 0.91±0.50(Predicted) |
| Physical state | Solid |
| Color | White to Off-White |
Applications & Uses
Uses
Cytidine 5’-Diphosphate Ethanolamine Disodium Salt is an analog of Cytidine 5’-Diphosphate with an important role in the metabolism of phospholipides.