(2S,3S)-3-(ethoxycarbonyl)oxirane-2-carboxylic acid
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Grundinformationen
- CAS
89886-73-7- Standard-SMILES
CCOC(=O)[C@H]1O[C@@H]1C(=O)O- InChIKey
MWMZDXCRDIBPCO-IMJSIDKUSA-N- Summenformel
- C6H8O5
- Durchschnittliche Molmasse
- 160,12 g/mol
- Monoisotopische Masse
- 160,03717335
Namen und Bezeichner
- Bevorzugter Name
- (2S,3S)-3-(ethoxycarbonyl)oxirane-2-carboxylic acid
- IUPAC
- (2S,3S)-3-ethoxycarbonyloxirane-2-carboxylic acid
- Englischer Name
- 2,3-Oxiranedicarboxylicacid,monoethylester,(2S,3S)-(9CI)
- Summenformel
- C6H8O5
- Molmasse
- 160.12
Namen und Synonyme
89886-73-7(2S,3S)-3-(ethoxycarbonyl)oxirane-2-carboxylic acidDTXSID90452478RefChem:207131DTXCID80403297(2S,3S)-3-ethoxycarbonyloxirane-2-carboxylic Acid(2S,3S)-2,3-Oxiranedicarboxylic Acid Monoethyl EsterMFCD18829018(2S,3S)-3-(Ethoxycarbonyl)-oxirane-2-carboxylic acid(2S-trans)-2,3-Oxiranedicarboxylic Acid Monoethyl Ester; (2S,3S)-3-(Ethoxycarbonyl)oxirane-2-carboxylic Acid; (2S,3S)-2,3-Oxiranedicarboxylic Acid 2-Ethyl Ester(2S, 3S)-3-(Ethoxycarbonyl)-oxirane-2-carboxylic acidSCHEMBL1806931
Weitere Namen anzeigen
)-oxirane-2-carboxyL(2S,3S)-3-(EthoxycarbonyLethyl (2S,3S)-2,3-epoxysuccinate2,3-Oxiranedicarboxylicacid,monoethylester,(2S,3S)-2,3-Oxiranedicarboxylic acid, 2-ethyl ester, (2S,3S)-(2S,3S)-3-(Ethoxycarbonyl)oxirane-2-carboxylic acid 95%2,3-Oxiranedicarboxylicacid,monoethylester,(2S,3S)-(9CI)(-)-(2S,3S)-trans-oxiran-2,3-dicarbonsaeure-monoethylester
MWMZDXCRDIBPCO-IMJSIDKUSA-NAKOS016000392FE31466SY345029DB-246922CS-016923884518-79-6(2S,3S)-epoxybutanedioic acid monoethyl ester
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- -0,2
- Polarare Oberfläche (TPSA)
- 76,1 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 187
Physikochemische Eigenschaften
- Siedepunkt
- 278.9 · 278.9±40.0 °C(Predicted)
- Dichte
- 1.447 · 1.447±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly)
- Aggregatzustand
- Solid
- pka
- 3.14 · 3.14±0.40(Predicted)
- Farbe
- Clear Colorless to Off-White
- InChI
- InChI=1S/C6H8O5/c1-2-10-6(9)4-3(11-4)5(7)8/h3-4H,2H2,1H3,(H,7,8)/t3-,4-/m0/s1
- InChIKey
- MWMZDXCRDIBPCO-IMJSIDKUSA-N
- SMILES
- O1[C@H](C(O)=O)[C@H]1C(OCC)=O
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 38 reports by companies from 1 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
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26
Chemie und Industrie
Anwendungen
Verwenden(2S,3S)-2,3-Oxiranedicarboxylic Acid Monoethyl Ester is used in the synthesis of aza-peptidyl inhibitors of lysosomal asparaginyl endopeptidase, legumain. Also used in the synthesis of irreversible epidermal growth factor receptor inhibitors and probes for cathespins.
Anbieter24 Anbieter
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
NINGBOBENKANGJS PHARMTECHCO., LTD+8615990591583 15990591583
宁波苯康基石医药科技有限公司15990591583
无锡捷化医药科技有限公司83588313 18800520310 · [email protected]
CEG Chemical Science & Technology Co., Ltd.Mobile:13665161512
上海高蹈医药科技有限公司021-15001867143 15001867143 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
深圳市大物科技有限责任公司0752-5555973 13923768523 · [email protected]
泰迩生物医药泰州有限公司052386810091 · [email protected]
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