Basic information
- CAS
474944-16-6- Standard SMILES
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC(=O)CCSSc1ccccn1)OC(=O)CCCCCCCCCCCCCCC- InChIKey
FKHHBNZLKDHJAH-UHFFFAOYSA-N- Molecular formula
- C45H81N2O9PS2
- Average molar mass
- 889.2 g/mol
- Monoisotopic mass
- 888.51211151
Names & identifiers
- Preferred name
- [(2R)-2-hexadecanoyloxy-3-[hydroxy-[2-[3-(2-pyridyldisulfanyl)propanoylamino]ethoxy]phosphoryl]oxy-propyl] hexadecanoate
- IUPAC
- [2-hexadecanoyloxy-3-[hydroxy-[2-[3-(pyridin-2-yldisulfanyl)propanoylamino]ethoxy]phosphoryl]oxypropyl] hexadecanoate
- English name
- 1,2-dipalMitoyl-sn-glycero-3-phosphoethanolaMine-N-[3-(2-pyridyldithio)propionate] (sodiuM salt)
- Molecular formula
- C45H80N2NaO10PS2
- Molecular weight
- 927.217631
Names & synonyms
NSC696394SCHEMBL860560CHEMBL1989398NSC-696394NCI60_034410[(2R)-2-hexadecanoyloxy-3-[hydroxy-[2-[3-(2-pyridyldisulfanyl)propanoylamino]ethoxy]phosphoryl]oxy-propyl] hexadecanoate4-Hydroxy-4-oxido-9-oxo-1-((palmitoyloxy)methyl)-11-(2-pyridinyldithio)-3,5-dioxa-8-aza-4-phosphaundec-1-yl palmitateDPPE-PDP1,2-dipalMitoyl-sn-glycero-3-phosphoethanolaMine-N-[3-(2-pyridyldithio)propionate] (sodiuM salt)1,2-dipalmitoyl-sn-glycero-3-phosphoethanolamine-N-[3-(2-pyridyldithio)propionate] (sodium salt (DPPE-PDP)1,2-DIPALMITOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE-N-[3-(2-PYRIDYLDITHIO)PROPIONATE] (SODIUM SALT)16:0 PDP PE
Show more names
1,2-Dipalmitoylphosphatidylethanolamine-N - [3- (2-pyridinedicarboxylate) propionyl] (sodium salt) (DPPE-PDP)(1R)-1-[3-Hydroxy-3-oxido-8-oxo-10-(2-pyridinyldithio)-2,4-dioxa-7-aza-3-phosphadec-1-yl]-1,2-ethanediyl Ester Hexadecanoic Acid Monosodium Salt
Properties
Computed structural properties
- XLogP
- 14.2
- Topological polar surface area
- 201 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 45
- Heavy atoms
- 59
- Formal charge
- 0
- Complexity
- 1,060
Physicochemical properties
- storage temp.
- -20 °C · -20°C
- form
- powder
- InChIKey
- IUSHQKJFHVODPF-QUEDAWNRSA-M
- SMILES
- [H][C@@](COP([O-])(OCCNC(CCSSC1=CC=CC=N1)=O)=O)(OC(CCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCC)=O.[Na+]
- UNSPSC Code
- 12352211 · 12352211
- NACRES
- 25 · NA.25
- Symbol(GHS)
- 6 · GHS06,GHS08
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H319-H331-H336-H351-H361d-H372
- Precautionary statements
- 201 · P201-P260-P264-P280-P304+P340+P311-P403+P233
- target organs
- Central nervous system
- WGK Germany
- 3 · WGK 3
- Storage Class
- 6.1 D · 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects
- Hazard Classifications
- 3 InhalationAcute · Acute Tox. 3 InhalationAcute Tox. 4 OralCarc. 2Eye Irrit. 2Repr. 2Skin Irrit. 2STOT RE 1STOT SE 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS08
- Storage Class
- 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects
- target organs
- Central nervous system
- Hazard statements
- H302-H315-H319-H331-H336-H351-H361d-H372
- Hazard Classifications
- Acute Tox. 3 InhalationAcute Tox. 4 OralCarc. 2Eye Irrit. 2Repr. 2Skin Irrit. 2STOT RE 1STOT SE 3
- Precautionary statements
- P201-P260-P264-P280-P304+P340+P311-P403+P233
Chemistry & industry
Applications
Description16:0 PDP PE is a paramagnetic pH-sensitive liposome used as an imaging tool for visualizing drug-delivery and release process by MRI's.
Uses16:0 PDP PE has been used in preparation of rhodamine high-density lipoprotein nanoparticle (Rh-HDL NP) synthesis.
Uses16:0 PDP PE has been used to synthesize high-density lipoprotein (HDL)-like nano particles.
General Description16:0 PDP PE, also known as 1,2-dipalmitoyl-sn-glycero-3-phosphoethanolamine-N-[3-(2-pyridyldithio) propionate, is a head group modified functionalized lipid. Functionalized lipids mainly act as reporting molecules.
Suppliers17 total
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
Shochem(Shanghai) Co.,Ltd86-21-50800795 · [email protected]
河南闰霖化工有限公司+86-18738066252; +86-18738066252 · [email protected]
Aladdin Scientific[email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
Creative Enzymes1-516-855-7709 · [email protected]
成都华纯科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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