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DMPE

CAT: 1118-LP-R4-018-05Size: 10 gDry Ice: NoHazardous: No
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CAT#:1118-LP-R4-018-05Size:10 g
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CAS Number
998-07-2
Purity
≥99% (HPTLC)
Molecular Weight
635.85
Related Products
DLPE, DOPE, DPPE, 1,3-DPPE, DPyPE, DSPE, 1,2-POPE
Grade
R&D

Chemical Information

[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-tetradecanoyloxypropyl] tetradecanoate

PE(14:0/14:0) is a metabolite found in or produced by Escherichia coli (strain K12, MG1655).

CAS Number998-07-2
PubChem CID9852308
IUPAC Name[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-tetradecanoyloxypropyl] tetradecanoate
Molecular FormulaC33H66NO8P
Molecular Weight635.9
XLogP8.1
Topological Polar Surface Area134
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count35
Heavy Atom Count43
Formal Charge0
Complexity694
SMILES
CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCC
InChI
InChI=1S/C33H66NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-32(35)39-29-31(30-41-43(37,38)40-28-27-34)42-33(36)26-24-22-20-18-16-14-12-10-8-6-4-2/h31H,3-30,34H2,1-2H3,(H,37,38)/t31-/m1/s1
InChIKey
NEZDNQCXEZDCBI-WJOKGBTCSA-N
Chemical Structure
2D Structure
2D structure of [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-tetradecanoyloxypropyl] tetradecanoate
CAS: 998-07-2
CID: 9852308
Formula: C33H66NO8P
MW: 635.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight635.9
XLogP38.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count35
Exact Mass635.45260506
Monoisotopic Mass635.45260506
Topological Polar Surface Area134 Ų
Heavy Atom Count43
Formal Charge0
Complexity694
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes