(2R)-2,3-Dihydroxypropanoic acid

HCID 439194

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Grundinformationen

CAS: 473-81-4
Standard-SMILES: O=C(O)[C@H](O)CO
InChIKey: RBNPOMFGQQGHHO-UWTATZPHSA-N
Summenformel: C3H6O4
Durchschnittliche Molmasse: 106,08 g/mol
Monoisotopische Masse: 106,02660867

Überblick

D-glyceric acid is the D-enantiomer of glyceric acid. It is a conjugate acid of a D-glycerate. It is an enantiomer of a L-glyceric acid.

Namen und Bezeichner

Bevorzugter Name: (2R)-2,3-Dihydroxypropanoic acid
IUPAC: (2R)-2,3-dihydroxypropanoic acid
Englischer Name: 2,3-dihydroxypropanoic acid
Summenformel: C3H6O4
Molmasse: 106.08

Namen und Synonyme

D-Glyceric acid(2R)-2,3-DIHYDROXYPROPANOIC ACID6000-40-4(R)-2,3-dihydroxypropanoic acidGlyceric acid, D-Glyceric acid, (2R)-Glyceric acid, D(-)-formUNII-19D9ZZX4MH19D9ZZX4MH(R)-glycerateGlyceronic acid(R)-Glyceric acid

Weitere Namen anzeigen

GLYCERATED-glycerateSodium D-glycerate(-)-D-Glyceric acidD-GLYCERIC ACID SODIUM SALT[R,(-)-]-2,3-Dihydroxypropanoic acidD-Glyceric acid sodium saltPropanoic acid, 2,3-dihydroxy-, (2R)-

DGYR-glyceric acidD-GroAa,b-Hydroxypropionatea,b-Hydroxypropionic acidSCHEMBL584528orb1983184CHEBI:32398

Datenbank-Bezeichner

CAS: 473-81-4、6000-40-4
PubChem CID: 439194
DTXSID: DTXSID001016563
ChEBI: CHEBI:32398
UNII: 19D9ZZX4MH
Nikkaji: J71.807F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -1,5
Polarare Oberfläche (TPSA): 77,8 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 2
Schwere Atome: 7
Formalladung: 0
Komplexität: 69,3

Experimentelle und physikochemische Eigenschaften

Solubility1000.0 mg/mL

Physical DescriptionLiquid

Collision Cross Section · 2 Einträge

112.6 Å² [M-H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]

112.8 Å² [M-H]-

Physikochemische Eigenschaften

Siedepunkt: 412 · 412.0±30.0 °C(Predicted)
Dichte: 1.558 · 1.558±0.06 g/cm3(Predicted)
pka: 3.42 · 3.42±0.11(Predicted)
Aggregatzustand: powder or crystals
Farbe: white
InChI: 1S/C3H6O4/c4-1-2(5)3(6)7/h2,4-5H,1H2,(H,6,7)/t2-/m1/s1
InChIKey: RBNPOMFGQQGHHO-UWTATZPHSA-N

Sicherheit und Regulatorisches

Gefahrenhinweise

Regulatory InformationRegulation (EC) No 1831/2003 (amended)

Toxikologische Informationen

Health EffectsChronically high levels of D-glyceric acid are associated with D-glyceric acidura.

Toxicity Summary · 1 Eintrag

Glyceric acid is a compound that is secreted excessively in the urine by patients suffering from D-glyceric aciduria and D-glycerate anemia. Deficiency of human glycerate kinase leads to D-glycerate acidemia/D-glyceric aciduria. Accumulation of glyceric acid in the body has been shown to be toxic.

Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).