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A15:0-i15:0 PC

CAT: 0931-TYD-04500-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TYD-04500-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2936622-22-7
Target
Others
Related Pathways
Others
Bioactivity
A15:0-i15:0 PC is a branched lipid.
Smiles
[C@H](COP(OCC[N+](C)(C)C)(=O)[O-])(COC(CCCCCCCCCC[C@H](CC)C)=O)OC(CCCCCCCCCCCC(C)C)=O
Molecular Formula
C38H76NO8P
Molecular Weight
705.99
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

[(2R)-3-[(12S)-12-methyltetradecanoyl]oxy-2-(13-methyltetradecanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate
CAS Number2936622-22-7
PubChem CID178203693
IUPAC Name[(2R)-3-[(12S)-12-methyltetradecanoyl]oxy-2-(13-methyltetradecanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate
Molecular FormulaC38H76NO8P
Molecular Weight706.0
XLogP11.8
Topological Polar Surface Area111
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count36
Heavy Atom Count48
Formal Charge0
Complexity824
SMILES
CC[C@H](C)CCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCC(C)C
InChI
InChI=1S/C38H76NO8P/c1-8-35(4)27-23-19-15-12-13-16-20-24-28-37(40)44-32-36(33-46-48(42,43)45-31-30-39(5,6)7)47-38(41)29-25-21-17-11-9-10-14-18-22-26-34(2)3/h34-36H,8-33H2,1-7H3/t35-,36+/m0/s1
InChIKey
HRUYNYSPGBXRIZ-MPQUPPDSSA-N
Chemical Structure
2D Structure
2D structure of [(2R)-3-[(12S)-12-methyltetradecanoyl]oxy-2-(13-methyltetradecanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate
CAS: 2936622-22-7
CID: 178203693
Formula: C38H76NO8P
MW: 706.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight706.0
XLogP311.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count36
Exact Mass705.53085538
Monoisotopic Mass705.53085538
Topological Polar Surface Area111 Ų
Heavy Atom Count48
Formal Charge0
Complexity824
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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