(±)-(7-Hydroxy-4-oxido-10-oxo-3,5,9-trioxa-4-phosphapentacosyl)trimethylammonium-4-oxid

Einecs 241-396-7 · rac-Lysophosphatidylcholine · DL-γ-Palmitoyl-α-lysolecithin · DL-GAMMA-PALMITOYL-ALPHA-LYSOLECITHIN · DL-A-LYSOPHOSPHATIDYLCHOLINE PALMITOYL · DL-α-Palmitoyl lysophosphatidylcholine · CIBACRON BLUE 3GA AGAROSE WITH EPOXY SPA · RAC-1-PALMITOYL-GLYCERO-3-PHOSPHOCHOLINE

https://huagongshe.com/de/chemical/86554

Molekülstruktur von (±)-(7-Hydroxy-4-oxido-10-oxo-3,5,9-trioxa-4-phosphapentacosyl)trimethylammonium-4-oxid

Identifikatoren & physikalische Daten

CAS No.	14863-27-5
Summenformel	C24H50NO7P
Durchschnittliche Molmasse	495,6 g/mol
Monoisotopische Masse	495,33248993 g/mol
SMILES	CCCCCCCCCCCCCCCC(=O)OCC(O)COP(=O)([O-])OCC[N+](C)(C)C
InChIKey	ASWBNKHCZGQVJV-UHFFFAOYSA-N
PubChem CID	86554
EC No.	241-396-7
DTXSID	DTXSID901306323
Lokaler Name	(±)-(7-Hydroxy-4-oxido-10-oxo-3,5,9-trioxa-4-phosphapentacosyl)trimethylammonium-4-oxid

Chemische & physikalische Eigenschaften

XLogP	5,6
Polarare Oberfläche (TPSA)	105
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	7
Frei drehbare Bindungen	24
Schwere Atome	33
Formalladung	0
Komplexität	517
Lipide	Lipids -> Glycerophospholipids [GP] -> Glycerophosphocholines [GP01] -> Monoacylglycerophosphocholines [GP0105]
Kosmetika	Cosmetic ingredients (Lysolecithin) -> CIR (Cosmetic Ingredient Review)Emulsifying
Collision Cross Section	223.94 Å² [M+Na]+ [CCS Type: TIMSMethod: single field calibrated]222.9 Å² [M-CH3]- [CCS Type: TIMSMethod: calibrated with 4 ions from ESI LC/MS tuning mix (Agilent)]233.3 Å² [M+H]+ [CCS Type: DTMethod: stepped-field]228.5 Å² [M+H]+ [CCS Type: TWMethod: calibrated with phosphatidylcholines (ESI+) and phosphatidylethanolamines (ESI-)]235 Å² [M+HCOO]- [CCS Type: DTMethod: single field calibrated with Agilent tune mix (Agilent)]
Lagerbedingungen	−20°C

Sicherheit & Vorschriften

Toxizitätsübersicht	Safe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org
F	10-21
Wassergefährdungsklasse (WGK)	3

(±)-(7-Hydroxy-4-oxido-10-oxo-3,5,9-trioxa-4-phosphapentacosyl)trimethylammonium-4-oxid

Identifikatoren & physikalische Daten

CAS No.

14863-27-5

Summenformel

C24H50NO7P

Durchschnittliche Molmasse

495,6 g/mol

Monoisotopische Masse

495,33248993 g/mol

SMILES

CCCCCCCCCCCCCCCC(=O)OCC(O)COP(=O)([O-])OCC[N+](C)(C)C

InChIKey

ASWBNKHCZGQVJV-UHFFFAOYSA-N

PubChem CID

86554

EC No.

241-396-7

DTXSID

DTXSID901306323

Lokaler Name

(±)-(7-Hydroxy-4-oxido-10-oxo-3,5,9-trioxa-4-phosphapentacosyl)trimethylammonium-4-oxid

Chemische & physikalische Eigenschaften

XLogP

5,6

Polarare Oberfläche (TPSA)

105

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

517

Lipide

Lipids -> Glycerophospholipids [GP] -> Glycerophosphocholines [GP01] -> Monoacylglycerophosphocholines [GP0105]

Kosmetika

Cosmetic ingredients (Lysolecithin) -> CIR (Cosmetic Ingredient Review)Emulsifying

Collision Cross Section

223.94 Å² [M+Na]+ [CCS Type: TIMSMethod: single field calibrated]222.9 Å² [M-CH3]- [CCS Type: TIMSMethod: calibrated with 4 ions from ESI LC/MS tuning mix (Agilent)]233.3 Å² [M+H]+ [CCS Type: DTMethod: stepped-field]228.5 Å² [M+H]+ [CCS Type: TWMethod: calibrated with phosphatidylcholines (ESI+) and phosphatidylethanolamines (ESI-)]235 Å² [M+HCOO]- [CCS Type: DTMethod: single field calibrated with Agilent tune mix (Agilent)]

Lagerbedingungen

−20°C

Toxizitätsübersicht

Safe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org

10-21

Wassergefährdungsklasse (WGK)