2,3,4,6-Tetrakis-O-(phenylmethyl)-D-glucopyranose

HCID 10940502

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Grundinformationen

CAS: 4132-28-9
Standard-SMILES: OC1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIKey: OGOMAWHSXRDAKZ-BKJHVTENSA-N
Summenformel: C34H36O6
Durchschnittliche Molmasse: 540,6 g/mol
Monoisotopische Masse: 540,25118887

Namen und Bezeichner

Bevorzugter Name: 2,3,4,6-Tetrakis-O-(phenylmethyl)-D-glucopyranose
IUPAC: (3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
Englischer Name: 2,3,4,6-Tetra-O-benzyl-D-glucopyranose
Summenformel: C34H36O6
Molmasse: 540.65

Namen und Synonyme

4132-28-93GG5HR4KMM2,3,4,6-Tetrakis-O-(phenylmethyl)-D-glucopyranoseDTXSID001232816RefChem:441709DTXCID6016640212,3,4,6-Tetra-O-benzyl-D-glucopyranose(3R,4S,5R,6R)-3,4,5-TRIS(BENZYLOXY)-6-((BENZYLOXY)METHYL)TETRAHYDRO-2H-PYRAN-2-OLMFCD00066004(3R,4S,5R,6R)-3,4,5-tris(benzyloxy)-6-[(benzyloxy)methyl]oxan-2-olD-Glucopyranose, 2,3,4,6-tetrakis-O-(phenylmethyl)-(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol

Weitere Namen anzeigen

2,3,4, 6-4-o-benzyl-d-pyranoglucoseucopyranoseVoglibose Impurity 42,3,4,6-Tetra-O-benzbenzyl-D-glucopyranoseVoglibose Intermediates2,3,4,6-TETRABENZYL-D-GLUCOSETetra-O-benzyl-D-glucopyranose

C34H36O6tetrabenzylglucoseVoglibose Impurity 1TetraBn-Glu-OHorb2941990SCHEMBL1793061AC-772TSW-00031

Datenbank-Bezeichner

CAS: 4132-28-9
PubChem CID: 10940502
DTXSID: DTXSID001232816
UNII: 3GG5HR4KMM
EC Number: 432-870-6、609-908-7
Nikkaji: J338.547G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 5
Polarare Oberfläche (TPSA): 66,4 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 6
Frei drehbare Bindungen: 13
Schwere Atome: 40
Formalladung: 0
Komplexität: 665

Physikochemische Eigenschaften

Schmelzpunkt: 145 · 145-149 °C(lit.)
Siedepunkt: 672.4 · 672.4±55.0 °C(Predicted)
Dichte: 1.22 · 1.22±0.1 g/cm3(Predicted)
storage temp.: -20 °C · Sealed in dry,Store in freezer, under -20°C
Löslichkeit: Soluble in chloroform
Aggregatzustand: Solid
pka: 11.87 · 11.87±0.70(Predicted)
Farbe: White to Off-White
InChIKey: OGOMAWHSXRDAKZ-BKJHVTENSA-N
SMILES: OC1O[C@H](COCC2=CC=CC=C2)[C@@H](OCC2=CC=CC=C2)[C@H](OCC2=CC=CC=C2)[C@H]1OCC1=CC=CC=C1
CAS Datenbank: 4132 · 4132-28-9(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/13060

Hazard Classes and Categories · 2 Einträge

Acute Tox. 4 (100%)

Skin Irrit. 2 (50%)

Sicherheitsdaten

wgk: 3
hs_code: 29400090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-24/25
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen · 2 Einträge

Beschreibung2,3,4,6-Tetra-O-benzyl-D-glucopyranose is an important D-glucopyranose derivative, which is often used as a pharmaceutical intermediate in the synthesis of derivatives for the treatment of Alzheimer's disease, diabetes, and cancer.

Verwenden2,3,4,6-Tetra-O-benzyl-D-glucopyranose (cas# 4132-28-9) is a compound useful in organic synthesis. For example, it enables the preparation of α-glucopyranosyl chloride as well as 1-C-α-D-glucopyranosyl derivatives; it can also be used in the preparation of important D-glucopyranosyl derivatives for glucosylation and other reactions.