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16:0-i15:0 PC

CAT: 0931-TYD-04578-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TYD-04578-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1830316-07-8
Target
Others
Related Pathways
Others
Bioactivity
16:0-i15:0 PC is a branched lipid.
Smiles
[C@H](COP(OCC[N+](C)(C)C)(=O)[O-])(COC(CCCCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCC(C)C)=O
Molecular Formula
C39H78NO8P
Molecular Weight
720.01
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

[(2R)-3-hexadecanoyloxy-2-(13-methyltetradecanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate
CAS Number1830316-07-8
PubChem CID172897711
IUPAC Name[(2R)-3-hexadecanoyloxy-2-(13-methyltetradecanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate
Molecular FormulaC39H78NO8P
Molecular Weight720.0
XLogP12.6
Topological Polar Surface Area111
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count38
Heavy Atom Count49
Formal Charge0
Complexity824
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCC(C)C
InChI
InChI=1S/C39H78NO8P/c1-7-8-9-10-11-12-13-14-15-18-21-24-27-30-38(41)45-34-37(35-47-49(43,44)46-33-32-40(4,5)6)48-39(42)31-28-25-22-19-16-17-20-23-26-29-36(2)3/h36-37H,7-35H2,1-6H3/t37-/m1/s1
InChIKey
GKOJJQSSOMSCPH-DIPNUNPCSA-N
Chemical Structure
2D Structure
2D structure of [(2R)-3-hexadecanoyloxy-2-(13-methyltetradecanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate
CAS: 1830316-07-8
CID: 172897711
Formula: C39H78NO8P
MW: 720.0
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight720.0
XLogP312.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count38
Exact Mass719.54650544
Monoisotopic Mass719.54650544
Topological Polar Surface Area111 Ų
Heavy Atom Count49
Formal Charge0
Complexity824
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