D-erythritol 4-phosphate
Grundinformationen
- CAS
7183-41-7- Standard-SMILES
O=P(O)(O)OC[C@@H](O)[C@@H](O)CO- InChIKey
QRDCEYBRRFPBMZ-IUYQGCFVSA-N- Summenformel
- C4H11O7P
- Durchschnittliche Molmasse
- 202,1 g/mol
- Monoisotopische Masse
- 202,02423932
Überblick
D-erythritol 4-phosphate is a tetritol phosphate consisting of D-erythritol having the phosphate at the 4-position. It is an alditol 4-phosphate and a tetritol phosphate. It is functionally related to an erythritol. It is a conjugate acid of a D-erythritol 4-phosphate(2-).
Namen und Bezeichner
- Bevorzugter Name
- D-erythritol 4-phosphate
- IUPAC
- [(2R,3S)-2,3,4-trihydroxybutyl] dihydrogen phosphate
- Englischer Name
- erythritol 4-phosphate
- Summenformel
- C4H11O7P
- Molmasse
- 202.1
Namen und Synonyme
D-Erythritol 4-phosphateCHEBI:15770RefChem:937680GlyTouCan:G24385LSG24385LS(2R,3S)-2,3,4-trihydroxybutyl dihydrogen phosphate;D-erythritol 4-(dihydrogen phosphate)Erythritol 4-phosphate7183-41-7(2R,3S)-2,3,4-trihydroxybutyl dihydrogen phosphateL-Erythritol 1-phosphate4-O-phosphono-D-erythritolD-erythritol 4-(dihydrogen phosphate)
Weitere Namen anzeigen
L-Erythritol 1-phosphate lithium saltD-Erythritol 4-phosphate lithium saltD-Erythritol 4-phosphate lithium salt(2R,3S)-2,3,4-Trihydroxybutylphosphate lithium salt1,2,3,4-Butanetetrol, 1-(dihydrogen phosphate), (2R,3S)-
[(2R,3S)-2,3,4-trihydroxybutyl] dihydrogen phosphate1,2,3,4-Butanetetrol, 1-(dihydrogen phosphate), (S-(R*,S*))-erythritol-4-phosphate1u0g2,3,4-trihydroxybutyl dihydrogen phosphateSCHEMBL570977orb1690316CHEMBL3222164
Datenbank-Bezeichner
- CAS
7183-41-7- PubChem CID
- 192838
- DTXSID
DTXSID20992539- ChEMBL
CHEMBL3222164- ChEBI
CHEBI:15770- Nikkaji
- J2.742.723E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -3,5
- Polarare Oberfläche (TPSA)
- 127 Ų
- H-Brücken-Donoren
- 5
- H-Brücken-Akzeptoren
- 7
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 165
Physikochemische Eigenschaften
- Siedepunkt
- 556.8 · 556.8±60.0 °C(Predicted)
- Dichte
- 1.782 · 1.782±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- pka
- 1.84 · 1.84±0.10(Predicted)
- Aggregatzustand
- solid
- Farbe
- white to off-white
- InChI
- 1S/C4H11O7P/c5-1-3(6)4(7)2-11-12(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/t3-,4+/m0/s1
- InChIKey
- QRDCEYBRRFPBMZ-IUYQGCFVSA-N
- SMILES
- [P](=O)(OC[C@@H](O)[C@@H](O)CO)(O)O
Sicherheit und Regulatorisches
Sicherheitsdaten
- wgk
- 3
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
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