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DOPE

CAT: 0127-BI12161Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
383907-63-9
MDL Number
MFCD00146357
Smiles
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC
Notes
Natural

Chemical Information

L-alpha-phosphatidylethanolamine, transphosphatidylated (Egg, Chicken)
CAS Number383907-63-9
PubChem CID136212473
IUPAC Name2-azaniumylethyl [(2R)-3-hexadecanoyloxy-2-[(E)-octadec-9-enoyl]oxypropyl] phosphate
Molecular FormulaC39H76NO8P
Molecular Weight718.0
XLogP12.6
Topological Polar Surface Area139
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count40
Heavy Atom Count49
Formal Charge0
Complexity817
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCC/C=C/CCCCCCCC
InChI
InChI=1S/C39H76NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,37H,3-16,19-36,40H2,1-2H3,(H,43,44)/b18-17+/t37-/m1/s1
InChIKey
FHQVHHIBKUMWTI-JPPWSRCLSA-N
Chemical Structure
2D Structure
2D structure of L-alpha-phosphatidylethanolamine, transphosphatidylated (Egg, Chicken)
CAS: 383907-63-9
CID: 136212473
Formula: C39H76NO8P
MW: 718.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight718.0
XLogP312.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count40
Exact Mass717.53085538
Monoisotopic Mass717.53085538
Topological Polar Surface Area139 Ų
Heavy Atom Count49
Formal Charge0
Complexity817
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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