Grundinformationen
- Standard-SMILES
O[C@@H]1[C@@H](O)[C@@H]2OC[C@@H](O2)[C@H]1O- InChIKey
TWNIBLMWSKIRAT-VFUOTHLCSA-N- Summenformel
- C6H10O5
- Durchschnittliche Molmasse
- 162,14 g/mol
- Monoisotopische Masse
- 162,05282342
Namen und Bezeichner
- Bevorzugter Name
- Levoglucosan
- IUPAC
- (1R,2S,3S,4R,5R)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol
Namen und Synonyme
Levoglucosan498-07-71,6-Anhydro-beta-D-glucopyranoseLeucoglucosan(1R,2S,3S,4R,5R)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol1,6-Anhydro-beta-glucopyranose5132N17FSDCHEBI:30997beta-D-Glucopyranose, 1,6-anhydro-NSC-46243DTXSID90904321(1R,2S,3S,4R,5R)-6,8-dioxabicyclo(3.2.1)octane-2,3,4-triol
Weitere Namen anzeigen
RefChem:153210DTXCID301474706207-855-01,6-Anhydro-beta-D-glucoseGlucosan1,6-Anhydroglucose1,6-Anhydro-b-D-glucopyranose1,6-Anhydro-D-glucose
Datenbank-Bezeichner
- CAS
498-07-7- PubChem CID
- 2724705
- ChEMBL
CHEMBL3138649- ChEBI
CHEBI:30997- UNII
- 5132N17FSD
- EC Number
- 207-855-0
- Nikkaji
- J12.571G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -2,1
- Polarare Oberfläche (TPSA)
- 79,2 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 161
Experimentelle und physikochemische Eigenschaften
Solubility62.3 mg/mL
Melting Point183 °C
Physical DescriptionSolid
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 75% (3 of 4) of all reports.
Warning
H312 (25%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (25%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (25%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (25%): 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, P317, 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 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 3 of 4 reports by companies.；There is 1 notification provided by 1 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 Information
.beta.-D-Glucopyranose, 1,6-anhydro-: Does not have an individual approval but may be used under an appropriate group standard
.beta.-D-Galactopyranose, 1,6-anhydro-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Acute Tox. 4 (25%)；Skin Irrit. 2 (25%)；Eye Irrit. 2 (25%)；STOT SE 3 (25%)
Acute Tox. 4 (25%)；Acute Tox. 4 (25%)；Skin Irrit. 2 (25%)；Eye Irrit. 2A (25%)；Acute Tox. 4 (25%)；STOT SE 3 (25%)
Regulatorische Informationen
Regulatory Information
.beta.-D-Glucopyranose, 1,6-anhydro-: Does not have an individual approval but may be used under an appropriate group standard
.beta.-D-Galactopyranose, 1,6-anhydro-: Does not have an individual approval but may be used under an appropriate group standard
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsCytoplasm
Zugehörige Reaktionen
3
Verknüpfte Notizen
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