D-Glucopyranuronsure

D-Glucuronic Acid

HCID 94715

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

D-Glucopyranuronic acidD-glucuronateglucuronateD-GlcAglucopyranuronic acidglucopyranuronateSNFG:GlcAGlcA (SNFG)RefChem:937720GlyTouCan:G33059TICHEBI:4178DTXCID30196465
Weitere Namen anzeigen
(2S,3S,4S,5R)-3,4,5,6-tetrahydroxytetrahydro-2H-pyran-2-carboxylic acid-Carbamate βEinecs 208-429-7Carvedilol N’Carvedilol-d3 N’D-glucopyranuronic acid3β,4α,5β,6α-Tetrahydroxytetrahydro-2H-pyran-2α-carboxylic acid(2S,3S,4S,5R)-3,4,5,6-tetrahydroxytetrahydropyran-2-carboxylic acid
G33059TI229-486-4(2S,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid6556-12-38A5D83Q4RWD-GlucopyranuronateD-Glucuronic AcidDTXSID40273973

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

Experimentelle und physikochemische Eigenschaften

Physical DescriptionWhite to off-white crystalline powder; [Acros Organics MSDS]
Collision Cross Section · 3 Einträge

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 · 6 Einträge

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

Regulatory InformationD-Glucuronic acid: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryCauses increased cellular immune response and changes in bone marrow and leukocyte count in acute intraperitoneal studies on mice; [RTECS] An irritant; [Acros Organics MSDS]
EPA Safer ChemicalChemical: D-Glucuronic acid; Green circle - The chemical has been verified to be of low concern based on experimental and modeled data.
Hazard Classes and CategoriesSkin Irrit. 2 (50%);Eye Irrit. 2A (50%);STOT SE 3 (50%)

Regulatorische Informationen

Regulatory InformationD-Glucuronic acid: Does not have an individual approval but may be used under an appropriate group standard

Sicherheitsdaten

hs_code
2940000080

Chemie und Industrie

Verwendung und Herstellung

UsesFound in many plants and animals; [Merck Index]
Use Classification · 3 Einträge

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

General Manufacturing InformationD-Glucuronic acid: ACTIVE

Anbieter14 Anbieter

南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
上海维亦特生物科技有限公司15317051735 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]
北京秦岭医药科技有限公司010-61241352 18901327973

Zugehörige Reaktionen

4

Notizen zur Verbindung

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