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14:0-16:0 PC

CAT: 0926-UCA52580Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0926-UCA52580Size:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
69525-80-0
Smiles
CCCCCCCCCCCCCCCC (=O) OC (COC (=O) CCCCCCCCCCCCC) COP (=O) ([O-]) OCC[N+] (C) (C) C
Molecular Formula
C38H76NO8P
Molecular Weight
705.99 g/mol
Controlled
No

Chemical Information

3,5,8-Trioxa-4-phosphatetracosan-1-aminium, 4-hydroxy-N,N,N-trimethyl-9-oxo-7-(((1-oxotetradecyl)oxy)methyl)-, inner salt, 4-oxide, (7R)-

1-myristoyl-2-palmitoyl-sn-glycero-3-phosphocholine is a phosphatidylcholine 30:0 in which the phosphatidyl acyl groups at positions 1 and 2 are myristoyl (tetradecanoyl) and palmitoyl (hexadecanoyl) respectively. It has a role as a mouse metabolite. It is a phosphatidylcholine 30:0, a 1-acyl-2-hexadecanoyl-sn-glycero-3-phosphocholine and a tetradecanoate ester.

CAS Number69525-80-0
PubChem CID129657
IUPAC Name[(2R)-2-hexadecanoyloxy-3-tetradecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Molecular FormulaC38H76NO8P
Molecular Weight706.0
XLogP12.4
Topological Polar Surface Area111
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count38
Heavy Atom Count48
Formal Charge0
Complexity796
SMILES
CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChI
InChI=1S/C38H76NO8P/c1-6-8-10-12-14-16-18-19-21-23-25-27-29-31-38(41)47-36(35-46-48(42,43)45-33-32-39(3,4)5)34-44-37(40)30-28-26-24-22-20-17-15-13-11-9-7-2/h36H,6-35H2,1-5H3/t36-/m1/s1
InChIKey
RFVFQQWKPSOBED-PSXMRANNSA-N
Chemical Structure
2D Structure
2D structure of 3,5,8-Trioxa-4-phosphatetracosan-1-aminium, 4-hydroxy-N,N,N-trimethyl-9-oxo-7-(((1-oxotetradecyl)oxy)methyl)-, inner salt, 4-oxide, (7R)-
CAS: 69525-80-0
CID: 129657
Formula: C38H76NO8P
MW: 706.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight706.0
XLogP312.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count38
Exact Mass705.53085538
Monoisotopic Mass705.53085538
Topological Polar Surface Area111 Ų
Heavy Atom Count48
Formal Charge0
Complexity796
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

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