1,2-O-isopropylidene-alpha-D-xylofuranose
Grundinformationen
- CAS
20031-21-4- Standard-SMILES
CC1(C)O[C@H]2O[C@H](CO)[C@H](O)[C@H]2O1- InChIKey
JAUQZVBVVJJRKM-XZBKPIIZSA-N- Summenformel
- C8H14O5
- Durchschnittliche Molmasse
- 190,19 g/mol
- Monoisotopische Masse
- 190,08412354
Überblick
structure in first source
Namen und Bezeichner
- Bevorzugter Name
- 1,2-O-isopropylidene-alpha-D-xylofuranose
- IUPAC
- (3aR,5R,6S,6aR)-5-(hydroxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
- Englischer Name
- 1,2-O-Isopropylidene-alpha-D-xylofuranose
- Summenformel
- C8H14O5
- Molmasse
- 190.2
Namen und Synonyme
20031-21-41,2-O-Isopropylidene-alpha-D-xylofuranosealpha-D-Xylofuranose, 1,2-O-(1-methylethylidene)-DTXSID40885111RefChem:72110DTXCID501024513922-380-5(3aR,5R,6S,6aR)-5-(Hydroxymethyl)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-6-olMFCD000632951,2-O-Isopropylidene-a-D-xylofuranose(3aR,5R,6S,6aR)-5-(hydroxymethyl)-2,2-dimethyl-tetrahydro-2H-furo[2,3-d][1,3]dioxol-6-ol1,2-O-Isopropylidene-|A-D-xylofuranose
Weitere Namen anzeigen
1,2-O-Isopropylidene-α-D-xylofuranoseXylose monoacetone1 2-O-ISOPROPYLIDENE-ALPHA-D--D-xylofuranose1,2-O-Isopropylidene-α-DO-Isopropylidene-α1,2-O-Isoproplyidene-a-d-xylofuranose1,2-O-Isopropylidene-alpha-D-xylofuran1,2-O-isopropylidene-α-D-xylopfuranose
(3aR,5R,6S,6aR)-5-(hydroxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol1,2-O-Isopropylidene-?-D-xylofuranose.alpha.-d-Xylofuranose, 1,2-O-(1-methylethylidene)-1,2-O-(1-METHYLETHYLIDENE)-ALPHA-D-XYLOFURANOSE1,2-O-Isopropylidene-d-xylofuranose1,2-O-(1-Methylethylidene)-a-D-xylofuranose(3aR,5R,6S,6aR)-5-(hydroxymethyl)-2,2-dimethyl-tetrahydrofuro[2,3-d][1,3]dioxol-6-olMonoacetone-D-xylose
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,4
- Polarare Oberfläche (TPSA)
- 68,2 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 205
Physikochemische Eigenschaften
- Schmelzpunkt
- 69 · 69-71 °C(lit.)
- Siedepunkt
- 112 · 112-114 °C0.06 mm Hg(lit.)
- Dichte
- 1.2422 · 1.2422 (rough estimate)
- Brechungsindex
- -19 ° · -19 ° (C=1, H2O)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Löslichkeit
- Methanol (Slightly), Water (Slightly)
- pka
- 13.23 · 13.23±0.60(Predicted)
- Aggregatzustand
- Waxy Solid or Coarse Crystals and Chunks
- Farbe
- White to Off-white
- BRN
- 81520 · 81520
- InChI
- 1S/C8H14O5/c1-8(2)12-6-5(10)4(3-9)11-7(6)13-8/h4-7,9-10H,3H2,1-2H3/t4-,5+,6-,7-/m1/s1
- InChIKey
- JAUQZVBVVJJRKM-VZFHVOOUSA-N
- SMILES
- CC1(C)O[C@H]2O[C@H](CO)[C@H](O)[C@H]2O1
- CAS Datenbank
- 20031 · 20031-21-4(CAS DataBase Reference)
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 33.3% (1 of 3) of reports.
Warning
H302 (33.3%): 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (33.3%)
Sicherheitsdaten
- F
- 10
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29321900
- safety_code
- 22-24/25
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information.alpha.-D-Xylofuranose, 1,2-O-(1-methylethylidene)-: INACTIVE
Anwendungen
Verwenden1,2-O-Isopropylidene-α-D-xylofuranose is an intermediate used in the synthesis of C-glycosides ribosyl-acid and ribosyl-aldehyde.
Zugehörige Reaktionen
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