2,3,4,6-Tetra-O-acetylglucopyranosylisothiocyanate
Grundinformationen
- CAS
14152-97-7- Standard-SMILES
CC(=O)OC[C@H]1O[C@@H](N=C=S)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O- InChIKey
WOWNQYXIQWQJRJ-UXXRCYHCSA-N- Summenformel
- C15H19NO9S
- Durchschnittliche Molmasse
- 389,4 g/mol
- Monoisotopische Masse
- 389,07805236
Namen und Bezeichner
- Bevorzugter Name
- 2,3,4,6-Tetra-O-acetylglucopyranosylisothiocyanate
- IUPAC
- [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-isothiocyanatooxan-2-yl]methyl acetate
- Englischer Name
- 2,3,4,6-Tetra-O-acetyl-beta-D-glucopyranosyl isothiocyanate
- Summenformel
- C15H19NO9S
- Molmasse
- 389.38
Namen und Synonyme
14152-97-7GITCTAGIT2,3,4,6-Tetra-O-acetylglucopyranosylisothiocyanateDTXSID90931112RefChem:81271DTXCID4017763332,3,4,6-Tetra-O-acetyl-beta-D-glucopyranosyl isothiocyanateMFCD00043085beta-D-Glucopyranosyl isothiocyanate, 2,3,4,6-tetraacetate(2R,3R,4S,5R,6R)-2-(Acetoxymethyl)-6-isothiocyanatotetrahydro-2H-pyran-3,4,5-triyl triacetate2,3,4,6-Tetra-O-acetyl-b-D-glucopyranosyl isothiocyanate
Weitere Namen anzeigen
Dapagliflozin Impurity 732,3,4,6-Tetra-O-acetyl-β-D-g lucopyr2 3 4 6-TETRA-O-ACETYL-BETA-D-GLUCOPYRA&2,3,4,6-Tetra-O-acetyl-a-D-glucopyranosylTetra-O-acetyl-β-D-glucopyranosyl isothiocyanate2,3,4,6-tetra-O-acetyl-B-D-*glucopyranosyl isothi
[(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-isothiocyanato-tetrahydropyran-2-yl]methyl acetate2,3,4,6-Tetra-O-acetyl-|A-D-glucopyranosyl isothiocyanateC15H19NO9S(2R,3R,4S,5R,6R)-2-(Acetoxymethyl)-6-isothiocyanatotetrahydro-2H-pyran-3,4,5-triyltriacetate2,3,4,6-Tetra-O-acetyl-beta-D-glucopyranosyl isothiocyanate, for chiral derivatization, >=98.0% (HPLC)NSC 224452Pregabalin Impurity 153SCHEMBL1357029
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,2
- Polarare Oberfläche (TPSA)
- 159 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 11
- Frei drehbare Bindungen
- 10
- Schwere Atome
- 26
- Formalladung
- 0
- Komplexität
- 616
Physikochemische Eigenschaften
- Schmelzpunkt
- 114 · 114-116 °C(lit.)
- Siedepunkt
- 469.7 · 469.7±45.0 °C(Predicted)
- Dichte
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- Chloroform (Sparingly), Methanol (Slightly)
- Aggregatzustand
- Solid
- Farbe
- White to Off-White
- BRN
- 56699 · 56699
- InChI
- InChI=1/C15H19NO9S/c1-7(17)21-5-11-12(22-8(2)18)13(23-9(3)19)14(24-10(4)20)15(25-11)16-6-26/h11-15H,5H2,1-4H3/t11-,12-,13+,14-,15-/s3
- InChIKey
- WOWNQYXIQWQJRJ-UUAXUISXNA-N
- SMILES
- [C@@H]1(OC(=O)C)[C@@H](OC(=O)C)[C@@H](O[C@H](COC(=O)C)[C@H]1OC(=O)C)N=C=S |&1:0,5,10,12,18,r|
- CAS Datenbank
- 14152 · 14152-97-7(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (97.6%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H334 (100%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]；H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P233, P260, P261, P264, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 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%)；Skin Sens. 1 (97.6%)；Eye Irrit. 2 (100%)；Resp. Sens. 1 (100%)；STOT SE 3 (97.6%)
Sicherheitsdaten
- F
- 3-8-21
- wgk
- 3
- ridadr
- 2810
- hs_code
- 29329990
- risk_code
- 36/37/38-42
- hazard_code
- Xn
- safety_code
- 22-26-36-45
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Anwendungen
VerwendenChiral reagent for resolution of amino acid derivatives.
Vor- und nachgelagerte Produkte
Nachgelagerte Produkte
Anbieter100 Anbieter
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
临沂锎源化学科技有限公司13188735557 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
广州朗欧生物科技有限公司15876533741 · [email protected]
广州市尧光科技有限公司13020159086 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
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