CAS 8002-43-5|(2-{[3-(hexadecanoyloxy)-2-(octadeca-9,12-dienoyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium|(2-{[3-(hexadecanoyloxy)-2-(octadeca-9,12-dienoyloxy)propyl phosphonato]oxy}ethyl)tri...

General Information

Structure

Molecular Formula

C₄₂H₈₀NO₈P

Molecular Mass

758.060261

Exact Mass

757.56215516

Charge

InChI

InChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h14,16,20-21,40H,6-13,15,17-19,22-39H2,1-5H3

InChIKey

JLPULHDHAOZNQI-UHFFFAOYSA-N

Canonic Smiles

CCCCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCC/C=C/C/C=C/CCCCC)COP(=O)(OCC[N+](C)(C)C)[O-]

Isomeric Smiles

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C/C/C=C/CCCCC

Calculated Properties

JChem

Acid pKa

1.8550572

H Acceptors

H Donor

LogD (pH = 5.5)

10.302594

LogD (pH = 7.4)

10.3026905

Log P

8.27909

Molar Refractivity

227.3003

Polarizability

85.58359

Polar Surface Area

111.19

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

(2-{[3-(hexadecanoyloxy)-2-(octadeca-9,12-dienoyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium

IUPAC name

(2-{[3-(hexadecanoyloxy)-2-(octadeca-9,12-dienoyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium

Synonyms

1,2-Diacyl-sn-glycero-3-phosphocholineL-α-LecithinLECITHINL-α-phosphatidyl choline3-sn-Phosphatidylcholine

Names and Identifiers

Registration numbers

EC Number

CAS Number

PubChem SID

PubChem CID

Registration numbers

Properties

Product Information

Download link

Physical Property

61.26°C

-63.5°C

1.48 g/ml

Properties

Related Proteins

No Data Available

Click here to submit data

Molecular Spectra

No Data Available

Click here to submit data

Molecule Details

MP Biomedicals

02151539

Water Dispersable Grade
From Soybeans For use as an emulsifier and solubilizer for drugs in an aqueous solution, also as a vehicle for liposomes.
Purity 90-96%

02151540

From Bovine Heart
Supplied in ampoules containing 100 mg of choline plasmogen and phosphatidyl choline in a colorless chloroform: methanol solution.
Purity: ~96%

02151541

From Bovine Spinal Cord
Supplied in ampoules containing 100 mg bovine spinal cord lecithin in a colorless solution of methanol: chloroform
Purity: ~99%

Molecule Details

References

PubChem Literature

No Data Available

Click here to submit data

References

Bioactivity

PubChem BioAssay

Bioactivity

Data Source

Commercial Catalog

Academic Data

Names and Identifiers

IUPAC Traditional name

(2-{[3-(hexadecanoyloxy)-2-(octadeca-9,12-dienoyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium

IUPAC name

(2-{[3-(hexadecanoyloxy)-2-(octadeca-9,12-dienoyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium

Synonyms

1,2-Diacyl-sn-glycero-3-phosphocholineL-α-LecithinLECITHINL-α-phosphatidyl choline3-sn-Phosphatidylcholine

Registration numbers

EC Number

CAS Number

PubChem SID

PubChem CID

Molecule Details

Water Dispersable Grade
From Soybeans For use as an emulsifier and solubilizer for drugs in an aqueous solution, also as a vehicle for liposomes.
Purity 90-96%

02151540

From Bovine Heart
Supplied in ampoules containing 100 mg of choline plasmogen and phosphatidyl choline in a colorless chloroform: methanol solution.
Purity: ~96%

02151541

From Bovine Spinal Cord
Supplied in ampoules containing 100 mg bovine spinal cord lecithin in a colorless solution of methanol: chloroform
Purity: ~99%

References

PubChem Literature

No Data Available

Click here to submit data

Bioactivity

PubChem BioAssay

Properties

Product Information

Download link

Physical Property

61.26°C

-63.5°C

1.48 g/ml

Molecule

ID:103372