Tri-O-acetyl-D-glucal

HCID 688303CAS 2873-29-2

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Grundinformationen

Standard-SMILES: CC(=O)OC[C@H]1OC=C[C@@H](OC(C)=O)[C@@H]1OC(C)=O
InChIKey: LLPWGHLVUPBSLP-UTUOFQBUSA-N
Summenformel: C12H16O7
Durchschnittliche Molmasse: 272,25 g/mol

Namen und Bezeichner

Bevorzugter Name: Tri-O-acetyl-D-glucal
IUPAC: [(2R,3S,4R)-3,4-diacetyloxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate

Namen und Synonyme

Tri-O-acetyl-D-glucal2873-29-23,4,6-tri-O-Acetyl-D-glucalQR9TXM6ZW3RefChem:933305(2R,3S,4R)-2-(acetoxymethyl)-3,4-dihydro-2H-pyran-3,4-diyl diacetateD-Glucal triacetateMFCD00063253D-arabino-Hex-1-enitol, 1,5-anhydro-2-deoxy-, 3,4,6-triacetateSCHEMBL62522[(2R,3S,4R)-3,4-bis(acetyloxy)-3,4-dihydro-2H-pyran-2-yl]methyl acetate3,4,6-Tri-O-acetyl-1,5-anhydro-2-deoxy-D-arabino-hex-1-enitol

Weitere Namen anzeigen

Triacetyl-D-glucal[(2R,3S,4R)-3,4-diacetyloxy-3,4-dihydro-2H-pyran-2-yl]methyl acetateAKOS015919129AKOS0159247841,2-Dideoxy-3,4,6-tri-O-acetyl-D-arabino-1-hexenopyranoseHY-34628CS-0020143[(2R,3S,4R)-3,4-diacetoxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate

Datenbank-Bezeichner

CAS: 2873-29-2、3685-88-9
PubChem CID: 688303
DTXSID: DTXSID401351216
UNII: QR9TXM6ZW3
EC Number: 220-709-0
Nikkaji: J109.600A、J47.317K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,2
Polarare Oberfläche (TPSA): 88,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 7
Frei drehbare Bindungen: 7
Schwere Atome: 19
Formalladung: 0
Komplexität: 388

Experimentelle und physikochemische Eigenschaften

Chemical ClassesBiological Agents -> Monosaccharides and Derivatives

Physical DescriptionWhite crystalline powder; [Sigma-Aldrich MSDS]

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, 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 InformationD-arabino-Hex-1-enitol, 1,5-anhydro-2-deoxy-, triacetate: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryNot considered hazardous by GHS classification; [Sigma-Aldrich MSDS] See beta-D-Glucose and Glucose.

Hazard Classes and CategoriesAcute Tox. 4 (100%)