Products for Research Use Only

VFN04570

CAT: 0013-GTR19241945-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19241945-02Size:25 mg
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Description
VFN04570 is a synthetic phospholipid, specifically a phosphatidylethanolamine (PE) where both the sn-1 and sn-2 positions are esterified with erucic acid. This structured lipid is utilized in biochemical research for studying membrane biophysics, lipid metabolism, and as a component in model membrane systems for in vitro experiments.
CAS Number
904304-57-0
Field of Research
Metabolism Research
Smiles
[C@@H] (OC (CCCCCCCCCCC/C=C\CCCCCCCC) =O) (COC (CCCCCCCCCCC/C=C\CCCCCCCC) =O) COP (OCCN) (=O) O
Molecular Formula
C49H94NO8P
Molecular Weight
856.25
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1,2-Dierucoyl-sn-glycero-3-phosphoethanolamine
CAS Number904304-57-0
PubChem CID53479873
IUPAC Name[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-docos-13-enoyl]oxypropyl] (Z)-docos-13-enoate
Molecular FormulaC49H94NO8P
Molecular Weight856.2
XLogP14.9
Topological Polar Surface Area134
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count49
Heavy Atom Count59
Formal Charge0
Complexity1020
SMILES
CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C49H94NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,47H,3-16,21-46,50H2,1-2H3,(H,53,54)/b19-17-,20-18-/t47-/m1/s1
InChIKey
VBZSMBBOZFITID-FRWASNMLSA-N
Chemical Structure
2D Structure
2D structure of 1,2-Dierucoyl-sn-glycero-3-phosphoethanolamine
CAS: 904304-57-0
CID: 53479873
Formula: C49H94NO8P
MW: 856.2
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight856.2
XLogP314.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count49
Exact Mass855.67170595
Monoisotopic Mass855.67170595
Topological Polar Surface Area134 Ų
Heavy Atom Count59
Formal Charge0
Complexity1020
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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