51779-95-4
Product Name:
1,2-DI13-CIS-DOCOSENOYL-SN-GLYCERO-3-PHOSPHOCHOLINE
Formula:
C52H100NO8P
Synonyms:
PC;DEPC;PC(22:1(13E)/22:1(13E));(7R,22Z)-4-Hydroxy-N,N,N-trimethyl-10-oxo-7-[[(13Z)-1-oxo-13-docosen-1-yl]oxy]-3,5,9-trioxa-4-phosphahentriacont-22-en-1-aminium 4-oxide, inner salt;1,2-di-(13Z-docosenoyl)-sn-glycero-3-phosphocholine; PC(22:1(13Z)/22:1(13Z)); DEPC
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|
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 | 898.3 g/mol |
|---|---|
| XLogP3 | 18.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 50 |
| Exact Mass | 897.71865615 g/mol |
| Monoisotopic Mass | 897.71865615 g/mol |
| Topological Polar Surface Area | 111 Ų |
| Heavy Atom Count | 62 |
| Formal Charge | 0 |
| Complexity | 1100 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |