Basic information
- CAS
95864-17-8- Standard SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCc1ccc2ccc3cccc4ccc1c2c34- InChIKey
ZZLOWUUVDRBGKM-WBVITSLISA-N- Molecular formula
- C50H76NO8P
- Average molar mass
- 850.1 g/mol
- Monoisotopic mass
- 849.53085538
Overview
structure given in first source
Names & identifiers
- Preferred name
- 1-Palmitoyl-2-(1'-pyreneoctanoyl)glycero-3-phosphochine
- IUPAC
- [(2R)-3-hexadecanoyloxy-2-(10-pyren-1-yldecanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate
- English name
- 1-Palmitoyl-2-pyrenedecanoylphosphatidylcholine
- Molecular formula
- C50H76NO8P
- Molecular weight
- 850.13
Names & synonyms
95864-17-8PPOGP1-Palmitoyl-2-(1'-pyreneoctanoyl)glycero-3-phosphochineRefChem:7683210-Pyrene-PC[(2R)-3-hexadecanoyloxy-2-(10-pyren-1-yldecanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphateorb1693998SCHEMBL10702198DTXSID409147781-Palmitoyl-2-(pyrene-1-yl)decanoyl-sn-glycero-3-phosphocholineVDA86417AKOS027382982
Show more names
1-HEXADECANOYL-2-(1-PYRENEDECANOYL)-SN-GLYCERO-3-PHOSPHOCHOLINEBETA-PY-C10-HPC1-Palmitoyl-2-pyrenedecanoylphosphatidylcholineL-A-PHOSPHATIDYLCHOLINE, B-*(PYREN-1-YL) DECANOYL-3-PalMitoyl-2-(1-pyrenodecanoyl)-L-α-phosphatidylcholinel-α-phosphatidylcholine, β-(pyren-1-yl)decanoyl-γ-palmitoyl1-palmitoyl-2-pyrenedecanoyl-sn-glyero-3-phosphatidylcholine
PD021043HY-137348T36143(2R)-3-(Hexadecanoyloxy)-2-{[10-(pyren-1-yl)decanoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate1-Palmitoyl-2-pyrenedecanoylphosphatidylcholine; 3,5,9-Trioxa-4-phosphapentacosan-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-[[1-oxo-10-(1-pyrenyl)decyl]oxy]-, inner salt, 4-oxide, (7R)-; 3,5,9-Trioxa-4-phosphapentacosan-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-[[1-oxo-10-(1-pyrenyl)decyl]oxy]-,3-(Hexadecanoyloxy)-2-{[10-(pyren-1-yl)decanoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate
Properties
Computed structural properties
- XLogP
- 14.7
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 36
- Heavy atoms
- 60
- Formal charge
- 0
- Complexity
- 1,220
Physicochemical properties
- storage temp.
- 20 °C · −20°C
- solubility
- Soluble in DMSO
- form
- powder
- Appearance
- Solid Powder
- InChIKey
- HBCKORABVGGHAT-UHFFFAOYSA-N
- SMILES
- CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(O)(=O)OCC[N](C)(C)C)OC(=O)CCCCCCCCCc1ccc2ccc3cccc4ccc1c2c34
- UNSPSC Code
- 12352211 · 12352211
- NACRES
- 25 · NA.25
- Symbol(GHS)
- 6 · GHS06,GHS07,GHS08
- Signal word
- Danger
- Hazard statements
- 302 · H302-H310-H331-H315-H319-H351-H361-H372
- Precautionary statements
- 201 · P201-P202-P260-P262-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P310-P308+P313-P321-P314-P330-P361+P364-P332+P313-P337+P313-P403+P233-P405-P501
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- WGK Germany
- 3 · 3
- Storage Class
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
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS07,GHS08
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H310-H331-H315-H319-H351-H361-H372
- Precautionary statements
- P201-P202-P260-P262-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P310-P308+P313-P321-P314-P330-P361+P364-P332+P313-P337+P313-P403+P233-P405-P501
Chemistry & industry
Applications
Description10-Pyrene-PC is a substrate for all PLA2s with the exception of cPLA2 and PAF-AH. Upon phospholipid hydrolysis, 10-pyrenyldecanoic acid is produced from 10-pyrene-PC. The monomeric 10-pyrenyldecanoic acid exhibits fluorescence (excitation 345 nm, emission 395 nm), allowing quantitation of phospholipase activity.
Uses1-Palmitoyl-2-pyrenedecanoylphosphatidylcholine is a fluorescent phospholipid used to study the mechanism of spontaneous phospholipid transfer between single-walled phospholipid vesicles (liposomes) and other membrane interactions.
Suppliers14 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD+8613676922317 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
ChemeGen 中国18818260767 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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