Glyceric acid

HCID 752CAS 473-81-4

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Grundinformationen

Standard-SMILES: O=C(O)C(O)CO
InChIKey: RBNPOMFGQQGHHO-UHFFFAOYSA-N
Summenformel: C3H6O4
Durchschnittliche Molmasse: 106,08 g/mol
Monoisotopische Masse: 106,02660867

Überblick

Glyceric acid is a trionic acid that consists of propionic acid substituted at positions 2 and 3 by hydroxy groups. It has a role as a fundamental metabolite. It is functionally related to a propionic acid. It is a conjugate acid of a glycerate.

Namen und Bezeichner

Bevorzugter Name: Glyceric acid
IUPAC: 2,3-dihydroxypropanoic acid
Englischer Name: DL-Glyceric acid
Summenformel: C3H6O4
Molmasse: 106.08

Namen und Synonyme

GLYCERIC ACID473-81-42,3-Dihydroxypropanoic acidPropanoic acid, 2,3-dihydroxy-70KH64UX7Galpha,beta-Hydroxypropionic acidDTXSID80861979CHEBI:33508RefChem:663205GlyTouCan:G83093ZMDTXCID50219004G83093ZM

Weitere Namen anzeigen

DL-Glyceric Acid (40% in Water, ca. 5.2mol/L)RARECHEM AL BE 0724DL-Glyceric acid ,97%DL-GLYCERICACID20%INWATERα,β-dihydroxypropionic acidDL-GLYCERIC ACID: 40% IN WATER2,3-Dihydroxypropanoic acid(20% in water)

207-472-9DL-Glyceric acid600-19-1DL-2,3-Dihydroxypropionic Acid(+-)-Glyceric acidbeta-Hydroxylactic acidC3H6O4UNII-70KH64UX7G

Datenbank-Bezeichner

CAS: 473-81-4、600-19-1
PubChem CID: 752
DTXSID: DTXSID80861979
ChEBI: CHEBI:33508
UNII: 70KH64UX7G
EC Number: 207-472-9、676-425-6
Nikkaji: J5.966H

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

Collision Cross Section112.8 Å² [M-H]-

Physikochemische Eigenschaften

storage temp.: Refrigerator
Löslichkeit: DMSO (Slightly), Water (Slightly)
pka: 1 · pK1:3.64 (25°C)
Aggregatzustand: Clear Colourless Liquid

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: Propanoic acid, 2,3-dihydroxy-

Propanoic acid, 2,3-dihydroxy-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment

EPA Safer ChemicalChemical: Propanoic acid, 2,3-dihydroxy-

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

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).