Natriumcholat
Sodium Cholate
Grundinformationen
- CAS
361-09-1- Standard-SMILES
C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C.[Na+]- InChIKey
NRHMKIHPTBHXPF-TUJRSCDTSA-M- Summenformel
- C24H39NaO5
- Durchschnittliche Molmasse
- 430,6 g/mol
- Monoisotopische Masse
- 430,26951862
Überblick
Sodium cholate is a cholate salt and an organic sodium salt.
Namen und Bezeichner
- Bevorzugter Name
- Sodium Cholate
- IUPAC
- sodium (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
- Lokaler Name
- Natriumcholat
- Englischer Name
- Sodium cholate
- Summenformel
- C24H41NaO5
- Molmasse
- 432.58
Namen und Synonyme
SODIUM CHOLATE361-09-1Cholic acid, sodium saltCholic acid, monosodium saltcholate sodiumDTXSID9033979NU3Y4CCH8ZCholan-24-oic acid, 3,7,12-trihydroxy-, monosodium salt, (3alpha,5beta,7alpha,12alpha)-DTXCID7013979CHEBI:26711Cholate, SodiumCholeate, Sodium
Weitere Namen anzeigen
CHOLIC ACID SODIUM SALTSODIUM CHOLEATE3,7,12-trihydroxy-,(3alpha,5beta,7alpha,12alpha)-cholan-24-oicaci(R)-4-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-Trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid, sodium saltcolalinnsc-61357,12-TriolcholsaeureBile acideSodium choL
Cholan-24-oic acid, 3,7,12-trihydroxy-, sodium salt (1:1), (3alpha,5beta,7alpha,12alpha)-RefChem:183841Cholan-24-oic acid, 3,7,12-trihydroxy-, monosodium salt,(3alpha,5beta,7alpha,12alpha)-206-643-5cholic acid sodiumMFCD00064138Cholic acid (sodium)sodium;(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 101 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 30
- Formalladung
- 0
- Komplexität
- 643
Physikochemische Eigenschaften
- Schmelzpunkt
- 225 °C · >225°C (dec.)
- Dichte
- 0.999 at · 0.999 at 20.09℃
- Dampfdruck
- 0 Pa · 0Pa at 20℃
- Brechungsindex
- 35 ° · 35 ° (C=0.6, EtOH)
- storage temp.
- 15 C · +15C to +30C
- Löslichkeit
- DMSO (Slightly), Ethanol (Slightly, Sonicated), Methanol (Slightly), Water
- Aggregatzustand
- Powder
- pka
- 5.2 · 5.2
- Farbe
- White to off-white
- PH
- pH (50g/l , 25℃) : 7.0～9.5
- Wasserlöslichkeit
- 150 g/L · 150 g/L (20 ºC)
- Stabilität
- Hygroscopic
- Kosmetik-Inhaltsstoffe Funktionen
- SKIN CONDITIONINGSKIN PROTECTING
- InChIKey
- NRHMKIHPTBHXPF-TUJRSCDTSA-M
- SMILES
- [Na+].[O-]C(=O)CC[C@H]([C@@H]1[C@@]2([C@H]([C@H]3[C@@H]([C@@]4([C@H](C[C@H]3O)C[C@@H](CC4)O)C)C[C@@H]2O)CC1)C)C
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 23.5% (4 of 17) of reports.
Warning
H315 (47.1%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, 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 17 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Cholan-24-oic acid, 3,7,12-trihydroxy-, sodium salt (1:1), (3.alpha.,5.beta.,7.alpha.,12.alpha.)-
REACH registered substance: Sodium cholate (EC: 206-643-5)
Cholan-24-oic acid, 3,7,12-trihydroxy-, monosodium salt, (3.alpha.,5.beta.,7.alpha.,12.alpha.)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (47.1%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29173990
- RTECS-Nr.
- FZ9600000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 24/25-36-26
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing InformationCholan-24-oic acid, 3,7,12-trihydroxy-, sodium salt (1:1), (3.alpha.,5.beta.,7.alpha.,12.alpha.)-: ACTIVE
Anwendungen
VerwendenSodium cholate is a non-denaturing detergent used for membrane protein extraction.
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