2,3,4,6-Tetra-O-acetyl-α-D-glucopyranosylbromid

alpha-D-Glucopyranosyl bromide, tetraacetate

HCID 101776CAS 572-09-8

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: CC(=O)OC[C@H]1O[C@H](Br)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
InChIKey: CYAYKKUWALRRPA-RGDJUOJXSA-N
Summenformel: C14H19BrO9
Durchschnittliche Molmasse: 411,2 g/mol
Monoisotopische Masse: 410,02124429

Namen und Bezeichner

Bevorzugter Name: alpha-D-Glucopyranosyl bromide, tetraacetate
IUPAC: [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-bromooxan-2-yl]methyl acetate
Lokaler Name: 2,3,4,6-Tetra-O-acetyl-α-D-glucopyranosylbromid
Englischer Name: 2,3,4,6-Tetra-O-acetyl-alpha-D-glucopyranosyl bromide
Summenformel: C14H19BrO9
Molmasse: 411.2

Namen und Synonyme

alpha-D-Glucopyranosyl bromide, tetraacetate.alpha.-D-Glucopyranosyl bromide, tetraacetateRefChem:555624572-09-82,3,4,6-Tetra-O-acetyl-alpha-D-glucopyranosyl bromideAcetobromglucoseacetobromoglucoseAcetobromo-alpha-D-glucoseC14H19BrO9MFCD000632542,3,4,6-Tetra-O-acetyl-|A-D-glucopyranosyl bromide[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-bromooxan-2-yl]methyl acetate

Weitere Namen anzeigen

2,3,4,6-tetra-o-acetyl-α-d-glucopyranosyl bromide2,3,4,6-Tetra-O-acetyl-α-D-glucopyranosyl Bromideacetobromo-a-d-glucoseAcetobromo-α-D-glucoseA-D-GLUCOPYRANOSYL BROMIDEALPHA-ACETOBROMO-D-GLUCOSETETRA-O-ACETYL-A-D-GLUCOPYRANOSYL BROMIDE

Acetobromo-|A-D-glucose[(2R,3R,4S,5R,6R)-3,4,5-tris(acetyloxy)-6-bromooxan-2-yl]methyl acetateETH4010665a-acetobromglucose(2R,3R,4S,5R,6R)-2-(Acetoxymethyl)-6-bromotetrahydro-2H-pyran-3,4,5-triyl triacetateBromo 2,3,4,6-Tetra-O-acetyl-alpha-D-glucopyranosideAcetobromo glucoseBromo 2,3,4,6-Tetra-O-acetyl-Alpha-D-glucopyranoside (~ 5% CaCO3 as stabilizer)

Datenbank-Bezeichner

CAS: 572-09-8
PubChem CID: 101776
DTXSID: DTXSID001031860
UNII: ETH4010665
EC Number: 209-339-0
Nikkaji: J6.538B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,5
Polarare Oberfläche (TPSA): 114 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 9
Frei drehbare Bindungen: 9
Schwere Atome: 24
Formalladung: 0
Komplexität: 506

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physikochemische Eigenschaften

Schmelzpunkt: 86 · 86-89 °C
Siedepunkt: 0.125 · 0.125-30 °C(Press: 0.0005 Torr)
Dichte: 1.49 · 1.49±0.1 g/cm3(Predicted)
storage temp.: 20 °C · −20°C
Löslichkeit: Acetontrile (Very Slightly), Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Powder
Farbe: White to beige
Biologische Quelle: synthetic (organic)
Wasserlöslichkeit: decomposes
Merck: 14 · 14,60
BRN: 96669 · 96669
Stabilität: Stable. Combustible. Incompatible with strong oxidizing agents.
InChI: 1S/C14H19BrO9/c1-6(16)20-5-10-11(21-7(2)17)12(22-8(3)18)13(14(15)24-10)23-9(4)19/h10-14H,5H2,1-4H3/t10-,11-,12+,13-,14+/m1/s1
InChIKey: CYAYKKUWALRRPA-RGDJUOJXSA-N
SMILES: CC(=O)OC[C@H]1O[C@H](Br)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
CAS Datenbank: 572 · 572-09-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 86.4% (19 of 22) of all reports.

Warning

H315 (13.6%): Causes skin irritation [Warning Skin corrosion/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 22 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information.alpha.-D-Glucopyranosyl bromide, tetraacetate: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (13.6%)