7276-38-2
Product Name:
1-OLEOYL-2-STEAROYL-SN-GLYCERO-3-PHOSPHOCHOLINE
Formula:
C44H86NO8P
Synonyms:
1--(9Z-octadecenoyl)-2-octadecanoyl-sn-glycero-3-phosphocholine; OSPC; PC(18:1(9Z)/18:0)
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Solid |
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Collision Cross Section | 296.27 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Sample Type: Human plasma; Dataset: Ambiguous Lipids] 299 Ų [M+CH3COO]- [CCS Type: DT; Buffer gas: N2; Sample Type: Human bronchoalveolar lavage fluid (BALF); Dataset: Ambiguous Lipids] 300.01 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Sample Type: Human plasma; Dataset: Ambiguous Lipids] |
Chemical Classes | Lipids -> Ambiguous Lipids |
SAFETY INFORMATION
Signal word | Danger |
---|---|
Pictogram(s) |
Skull and Crossbones Acute Toxicity GHS06 Health Hazard GHS08 |
GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H331:Acute toxicity,inhalation H336:Specific target organ toxicity,single exposure; Narcotic effects H351:Carcinogenicity H372:Specific target organ toxicity, repeated exposure H412:Hazardous to the aquatic environment, long-term hazard |
Precautionary Statement Codes |
P201:Obtain special instructions before use. P273:Avoid release to the environment. P302+P352:IF ON SKIN: wash with plenty of soap and water. P308+P313:IF exposed or concerned: Get medical advice/attention. |
COMPUTED DESCRIPTORS
Molecular Weight | 788.1 g/mol |
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XLogP3 | 14.7 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 8 |
Rotatable Bond Count | 43 |
Exact Mass | 787.60910570 g/mol |
Monoisotopic Mass | 787.60910570 g/mol |
Topological Polar Surface Area | 111 Ų |
Heavy Atom Count | 54 |
Formal Charge | 0 |
Complexity | 930 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 1 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 1 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
1-oleoyl-2-stearoyl-sn-glycero-3-phosphocholine is a phosphatidylcholine 36:1 in which the phosphatidyl acyl groups at positions 1 and 2 are specified as oleoyl and stearoyl respectively. It is functionally related to an oleic acid and an octadecanoic acid.