(S)-(+)-3-(Benzyloxycarbonyl)-5-oxo-4-oxazolidinepropionic acid
Grundinformationen
- CAS
23632-67-9- Standard-SMILES
O=C(O)CC[C@H]1C(=O)OCN1C(=O)OCc1ccccc1- InChIKey
AYOCGDFDOZVEKT-NSHDSACASA-N- Summenformel
- C14H15NO6
- Durchschnittliche Molmasse
- 293,27 g/mol
- Monoisotopische Masse
- 293,0899372
Namen und Bezeichner
- Bevorzugter Name
- (S)-(+)-3-(Benzyloxycarbonyl)-5-oxo-4-oxazolidinepropionic acid
- IUPAC
- 3-[(4S)-5-oxo-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]propanoic acid
- Englischer Name
- (S)-(+)-3-(BENZYLOXYCARBONYL)-5-OXO-4-OXAZOLIDINEPROPIONIC ACID
- Summenformel
- C14H15NO6
- Molmasse
- 293.27
Namen und Synonyme
23632-67-9(S)-(+)-3-(Benzyloxycarbonyl)-5-oxo-4-oxazolidinepropionic acidDTXSID70350847RefChem:210981DTXCID10301914623-209-4(S)-3-(3-Cbz-5-oxo-4-oxazolidinyl)propionic AcidMFCD00799475(S)-3-Benzyloxycarbonyl-5-oxo-4-oxazolidinepropanoic Acid(S)-3-CBZ-4-(2-CARBOXYETHYL)-5-OXOOXAZOLIDINE4-Oxazolidinepropanoic acid, 5-oxo-3-[(phenylmethoxy)carbonyl]-, (4S)-3-[(4S)-5-oxo-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]propanoic acid
Weitere Namen anzeigen
(4S)-5-Oxo-3-[(phenylMethoxy)carbonyl]-4-oxazolidinepropanoic Acid(S)-3-(3-((benzyloxy)carbonyl)-5-oxooxazolidin-4 -yl)propanoic acid(S)-(+)-3-(Benzyloxycarbonyl)-5-oxo-4-oxazolidinepropionic acid 97%3-{(4S)-3-[(benzyloxy)carbonyl]-5-oxo-1,3-oxazolidin-4-yl}propanoic acid
(S)-3-(3-((Benzyloxy)carbonyl)-5-oxooxazolidin-4-yl)propanoic acid(4S)-5-Oxo-3-[(phenylmethoxy)carbonyl]-4-oxazolidinepropanoic Acid;SCHEMBL5711299AKOS015913064AS-37188SY096804CS-0062981(4S)-5-Oxo-3-Cbz-4-oxazolidinepropanoic acid
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,3
- Polarare Oberfläche (TPSA)
- 93,1 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 21
- Formalladung
- 0
- Komplexität
- 404
Physikochemische Eigenschaften
- Schmelzpunkt
- 68 · 68-69 °C
- Siedepunkt
- 557.2 · 557.2±45.0 °C(Predicted)
- Dichte
- 1.05 g/mL · 1.05 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.535(lit.)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- -20 °C · -20°C
- Löslichkeit
- Dichloromethane, Ethyl Acetate, Methanol
- pka
- 4.53 · 4.53±0.10(Predicted)
- Aggregatzustand
- Oil
- Farbe
- Clear Colorless
- InChI
- 1S/C14H15NO6/c16-12(17)7-6-11-13(18)21-9-15(11)14(19)20-8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,16,17)/t11-/m0/s1
- InChIKey
- AYOCGDFDOZVEKT-NSHDSACASA-N
- SMILES
- OC(=O)CC[C@@H]1N(COC1=O)C(=O)OCc2ccccc2
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 (100%): 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 39 reports by companies from 2 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 (100%)
Sicherheitsdaten
- wgk
- 3
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anbieter29 Anbieter
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Aladdin Scientific[email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
成都麦卡希化工有限公司028-85632863 18108198598 · [email protected]
广州爱纯医药科技有限公司020-39119399 18927568969 · [email protected]
天津卡普希科技有限公司022-66211079 13212288319 · [email protected]
上海宸香医药科技有限公司021-20960837 · [email protected]
苏州美迪森诺医药科技有限公司13771642864 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
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