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816-94-4

816-94-4 structural image
Product Name: 1,2-Distearoyl-sn-glycero-3-phosphocholine
Formula: C44H88NO8P
Synonyms: PC;DSPC;PC(18:0/18:0);L-α-Phosphatidylcholine, distearoyl;L-β,γ-Distearoyl-α-lecithin
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Collision Cross Section 294.94 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Sample Type: Human plasma; Dataset: Unambiguous Lipids]
Chemical Classes Lipids -> Unambiguous 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 790.1 g/mol
XLogP3 15.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 44
Exact Mass 789.62475576 g/mol
Monoisotopic Mass 789.62475576 g/mol
Topological Polar Surface Area 111 Ų
Heavy Atom Count 54
Formal Charge 0
Complexity 888
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

1,2-distearoyl-sn-glycero-3-phosphocholine is a phosphatidylcholine 36:0 in which both phosphatidyl acyl groups are specified as stearoyl (octadecanoyl). It is functionally related to an octadecanoic acid.