2-Desoxydi(p-toluoyl)-α-D-erythro-pentofuranosylchlorid
Hoffer's chlorosugar
Grundinformationen
- CAS
4330-21-6- Standard-SMILES
Cc1ccc(C(=O)OC[C@H]2O[C@H](Cl)C[C@@H]2OC(=O)c2ccc(C)cc2)cc1- InChIKey
FJHSYOMVMMNQJQ-OTWHNJEPSA-N- Summenformel
- C21H21ClO5
- Durchschnittliche Molmasse
- 388,8 g/mol
- Monoisotopische Masse
- 388,1077515
Namen und Bezeichner
- Bevorzugter Name
- Hoffer's chlorosugar
- IUPAC
- [(2R,3S,5R)-5-chloro-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate
- Lokaler Name
- 2-Desoxydi(p-toluoyl)-α-D-erythro-pentofuranosylchlorid
- Englischer Name
- 2-Deoxy-alpha-D-erythropentofuranosyl chloride 3,5-bis(4-methylbenzoate)
- Summenformel
- C21H21ClO5
- Molmasse
- 388.84
Namen und Synonyme
Hoffer's chlorosugarRefChem:7884184330-21-6(2R,3S,5R)-5-chloro-2-(((4-methylbenzoyl)oxy)methyl)tetrahydrofuran-3-yl 4-methylbenzoateMFCD01630916Hoffer's Chlorosugar (~90%)2-Deoxy-alpha-D-erythropentofuranosyl chloride 3,5-bis(4-methylbenzoate)3,5-Di-O-(p-toluyl)-2-deoxy-D-ribofuranosyl chloride2-Deoxy-3,5-di-o-p-toluoyl-ribofuranosyl chloride[(2R,3S,5R)-5-chloro-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate1-Chloro-2-deoxy-3,5-di-O-toluoyl-a-D-ribofuranose3,5-Di-O-toluoyl-alpha-1-chloro-2-deoxy-D-ribofuranose
Weitere Namen anzeigen
1-Chloro-2-deoxy-3,5-di-O-(4-toluoyl)-alpha-D-ribofuranoseNSC 148837Hoffer's alpha-chlorosugarDi-P-Toluoyl-Pentafuranosyl-Chloride3,5-bis(toluoyl)-2-deoxyribosyl chloride1-CHLORO-3,5-BIS[O-(4-TOLUOYL)]-2-DEOXYRIBOSE3,5-di-O-(P-toluyl)-2-deoxy-D-*ribofuranosyl chlo
2-deoxy-3,5-di-o-(p-toluoyl)-alpha-d-erythro-pentofuranosyl chloride(2R,3S,5R)-5-Chloro-2-[[(4-methylbenzoyl)oxy]methyl]tetrahydrofuran-3-yl 4-MethylbenzoateHoffer'schlorosugar2-Deoxy-3,5-di-O-p-toluoyl-?-D-erythro-pentofuranosyl Chloride; 1-Chloro-2-deoxy-3,5-di-O-p-toluoyl-?-D-erythro-pentofuranose; 1-Chloro-2-deoxy-3,5-di-O-p-toluoyl-?-D-ribose; 3,5-Di-O-p-toluyl-2-deoxy-?-D-ribofuranosyl Chloride; (2R,3S,5R)-5-Chloro-2-[[(4-methylbenzoyl)oxy]methyl]tetrahydrofuran-3-yl]-4-methylbenzoate;EINECS 224-367-3Hoffer's a-chlo ro sugarSCHEMBL336512Alpha-l-erythro-pentofuranosyl chloride-2-deoxy-bis(4-methyl benzoate)
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,9
- Polarare Oberfläche (TPSA)
- 61,8 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 7
- Schwere Atome
- 27
- Formalladung
- 0
- Komplexität
- 509
Physikochemische Eigenschaften
- Schmelzpunkt
- 117 · 117-119 °C
- Siedepunkt
- 518.4 · 518.4±50.0 °C(Predicted)
- Dichte
- 1.28 · 1.28
- storage temp.
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- Löslichkeit
- Acetone (Slightly), Chloroform (Slightly), DMSO (Slightly, Sonicated), Methanol
- Aggregatzustand
- Solid
- Farbe
- Off-White to Light Grey
- Stabilität
- Moisture Sensitive
- InChI
- InChI=1/C21H21ClO5/c1-13-3-7-15(8-4-13)20(23)25-12-18-17(11-19(22)26-18)27-21(24)16-9-5-14(2)6-10-16/h3-10,17-19H,11-12H2,1-2H3/t17-,18+,19+/s3
- InChIKey
- XJHDINDXQMZBKW-XUVXKRRUSA-N
- SMILES
- [C@@H]1(Cl)O[C@H](COC(=O)C2=CC=C(C)C=C2)[C@@H](OC(=O)C2=CC=C(C)C=C2)C1 |&1:0,3,15,r|
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.6%): 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, 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 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.6%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29321900
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Anwendungen
VerwendenHoffer''s Chlorosugar is a synthetic precursor for ribose glycosides and ribonucleosides.
Vor- und nachgelagerte Produkte
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Nachgelagerte Produkte
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南京凯美西化工有限公司02558748998 18951874644 · [email protected]
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