Grundinformationen
- CAS
528-16-5- Standard-SMILES
O=C(O)[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O- InChIKey
AEMOLEFTQBMNLQ-AQKNRBDQSA-N- Summenformel
- C6H10O7
- Durchschnittliche Molmasse
- 194,14 g/mol
- Monoisotopische Masse
- 194,04265265
Namen und Bezeichner
- Bevorzugter Name
- D-Glucuronic Acid
- IUPAC
- (2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
- Lokaler Name
- D-Glucopyranuronsure
- Englischer Name
- D-glucopyranuronic acid
- Summenformel
- C6H10O7
- Molmasse
- 194.14
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
528-16-5、6556-12-3- PubChem CID
- 94715
- DTXSID
DTXSID50894097- ChEMBL
CHEMBL1159524、CHEMBL1235649、CHEMBL496672- ChEBI
CHEBI:47952- EC Number
- 208-429-7、229-486-4
- Nikkaji
- J182.291H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -2,3
- Polarare Oberfläche (TPSA)
- 127 Ų
- H-Brücken-Donoren
- 5
- H-Brücken-Akzeptoren
- 7
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 205
Experimentelle und physikochemische Eigenschaften
Collision Cross Section
140 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine]
150.2 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)];131.7 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
153.13 Ų [M+Na]+ [CCS Type: DT; Method: stepped-field];134.23 Ų [M-H]- [CCS Type: DT; Method: stepped-field]
Physikochemische Eigenschaften
- Schmelzpunkt
- 267 · 267-269 °C (decomp)
- Siedepunkt
- 495.2 · 495.2±45.0 °C(Predicted)
- Dichte
- 1.987 · 1.987±0.06 g/cm3(Predicted)
- pka
- 2.87 · 2.87±0.70(Predicted)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 50% (2 of 4) of reports.
Warning
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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)
Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 2 of 4 reports by companies.;There are 2 notifications provided by 2 of 4 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Regulatorische Informationen
Sicherheitsdaten
- hs_code
- 2940000080
Chemie und Industrie
Verwendung und Herstellung
Use Classification
EPA Safer Chemical Functional Use Classes -> Processing Aids and Additives
Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern
Cosmetics -> Chelating; Humectant; Buffering
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