HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1,3-Hydroxy-2-propyldihydrogenphosphat
Glycerol 2-phosphate · beta-Glycerophosphoric acid · L-Glycerol 2-phosphate · Glycero-2-phosphoric acid · Glycerol-2-phosphoric acid · D-Glycerol 2-phosphoric acid · 1,3-hydroxy-2-propyl dihydrogen phosphate · 1,3-HYDROXY-2-PROPYL DIHYDROGEN PHOSPHONATE
Identifikatoren & physikalische Daten
| CAS No. | 17181-54-3 |
|---|---|
| Summenformel | C3H9O6P |
| Durchschnittliche Molmasse | 172,07 g/mol |
| Monoisotopische Masse | 172,01367464 g/mol |
| SMILES | O=P(O)(O)OC(CO)CO |
| InChIKey | DHCLVCXQIBBOPH-UHFFFAOYSA-N |
| PubChem CID | 2526 |
| ChEMBL | CHEMBL1232903 |
| ChEBI | CHEBI:17270 |
| EC No. | 241-228-2 |
| DTXSID | DTXSID1023106 |
| Lokaler Name | 1,3-Hydroxy-2-propyldihydrogenphosphat |
Chemische & physikalische Eigenschaften
| XLogP | -2,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 107 |
| H-Brücken-Donoren | 4 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 125 |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| Physical Description | Solid |
| Collision Cross Section | 147.2 Ų [M+Na-2H]- [CCS Type: DTMethod: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]126.5 Ų [M-H]- |
| Siedepunkt | 230 °C |
| Dichte | 1.738±0.06 g/cm3(Predicted) |
| Löslichkeit | Water (Slightly) |
| pKa (Säurekonstante) | pKa: 1.335(25°C) |
| Aggregatzustand | Solid |
| Farbe | White to Off-White |