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Grundinformationen
- CAS
3891-59-6- Standard-SMILES
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O- InChIKey
LPTITAGPBXDDGR-IBEHDNSVSA-N- Summenformel
- C16H22O11
- Durchschnittliche Molmasse
- 390,34 g/mol
- Monoisotopische Masse
- 390,11621152
Überblick
Beta-d-glucose pentaacetate is an organooxygen compound. It is functionally related to a hexacarboxylic acid.
Namen und Bezeichner
- Bevorzugter Name
- beta-D-Glucose pentaacetate
- IUPAC
- [(2R,3R,4S,5R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate
- Lokaler Name
- Glucosepentaacetat
- Englischer Name
- alpha-D-Glucose pentaacetate
- Summenformel
- C16H22O11
- Molmasse
- 390.34
Namen und Synonyme
beta-D-Glucose pentaacetate604-69-3V833P95COC[(2R,3R,4S,5R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetateDTXSID60861654beta-D-Glucopyranose, pentaacetateNSC-2140782,3,4,6-Tetra-O-acetyl-beta-D-glucopyranosyl acetate((2R,3R,4S,5R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl)methyl acetateRefChem:567575DTXCID801841936FEMA NO. 2524, BETA-
Weitere Namen anzeigen
D-GLUCOSE PENTAACETATEPentaacetylglucose1,2,3,4,6-PENTA-O-ACETYL-D-GLUCOPYRANOSEGlucose acetateEINECS 223-439-1Gulose pentaacetateA,B-D-GLUCOSE PENTAACETATEalpha-D-Glucose pentaacetateBeta-D-GlucosePentaacetate98%d-Allose, pentaacetate(ester)
glucose pentaacetate, (beta-(D))-210-074-8154395-36-5Penta-O-acetyl-beta-D-glucopyranose1,2,3,4,6-Penta-O-acetyl-b-D-glucopyranoseB-D-GLUCOSE PENTAACETATE(2S,3R,4S,5R,6R)-6-(acetoxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrayl tetraacetateMFCD00006597
Datenbank-Bezeichner
- CAS
3891-59-6、604-69-3- PubChem CID
- 2724702
- DTXSID
DTXSID60861654- ChEMBL
CHEMBL438446- ChEBI
CHEBI:177390- UNII
- V833P95COC
- EC Number
- 210-074-8
- Nikkaji
- J14.175E
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 0,6
- Polarare Oberfläche (TPSA)
- 141 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 11
- Frei drehbare Bindungen
- 11
- Schwere Atome
- 27
- Formalladung
- 0
- Komplexität
- 599
Experimentelle und physikochemische Eigenschaften
Chemical ClassesBiological Agents -> Monosaccharides and Derivatives
SpringerMaterials PropertiesDensity
LogP0.63
Solubility1.5 mg/mL at 18 °C
Boiling Point454.00 to 456.00 °C. @ 760.00 mm Hg
Melting Point135 °C
Physical Description
White powder; [Sigma-Aldrich MSDS]
Solid
Physikochemische Eigenschaften
- Schmelzpunkt
- 110 °C · 110°C
- Siedepunkt
- 435.58 °C · 435.58°C (rough estimate)
- Dichte
- 1.3984 · 1.3984 (rough estimate)
- Brechungsindex
- 1.5376 · 1.5376 (estimate)
- FEMA
- 2524 · 2524 | GLUCOSE PENTAACETATE
- storage temp.
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- Geruchsart
- odorless
- Wasserlöslichkeit
- 1.5 g/L · 1.5g/L(18 ºC)
- Kosmetik-Inhaltsstoffe Funktionen
- EMULSION STABILISING
- InChI
- InChI=1S/C16H22O11/c1-8(18)23-7-14(25-10(3)20)16(27-12(5)22)15(26-11(4)21)13(6-17)24-9(2)19/h6,13-16H,7H2,1-5H3/t13-,14+,15+,16+/m0/s1
- InChIKey
- UAOKXEHOENRFMP-ZJIFWQFVSA-N
- SMILES
- O=C[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H](OC(=O)C)COC(=O)C
- LogP
- 1.27 · 1.27
- CAS Datenbank
- 3891 · 3891-59-6(CAS DataBase Reference)
- NIST chemische Informationen
- 2 · D-Glucose, 2,3,4,5,6-pentaacetate(3891-59-6)
- EPA chemische Informationen
- 2 · Glucose 2,3,4,5,6-pentaacetate (3891-59-6)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (32 of 32) of all reports.
Not Classified
Aggregated GHS information provided per 32 reports by companies from 1 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: .beta.-D-Glucopyranose, pentaacetate
Status: Active Update: 11-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22257
.beta.-D-Glucopyranose, pentaacetate: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
Sicherheitsdaten
- tsca
- TSCA listed
- hs_code
- 29400090
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsCytoplasm
Darstellung
synthetischeBy acetylation of glucose using any number of techniques, including ZnCl2 and pyridine, sodium acetate, and acetic anhydride and pyridine.
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