56782-46-8
Product Name:
1,2-DI[TRANS-9-OCTADECENOYL]-SN-GLYCERO-3-PHOSPHOCHOLINE
Formula:
C44H84NO8P
Synonyms:
1,2-di-(9E-octadecenoyl)-sn-glycero-3-phosphocholine; PC(18:1(9E)/18:1(9E))
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Collision Cross Section | 296.9 Ų [M+Na]+ 293.3 Ų [M+H]+ |
|---|
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 |
| Precautionary Statement Codes |
P201:Obtain special instructions before use. P260:Do not breathe dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P403+P233:Store in a well-ventilated place. Keep container tightly closed. |
COMPUTED DESCRIPTORS
| Molecular Weight | 787.1 g/mol |
|---|---|
| XLogP3 | 13.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 42 |
| Exact Mass | 786.60128067 g/mol |
| Monoisotopic Mass | 786.60128067 g/mol |
| Topological Polar Surface Area | 108 Ų |
| Heavy Atom Count | 54 |
| Formal Charge | 1 |
| Complexity | 980 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |