HXG

1,2-dihexanoyl-sn-glycero-3-phosphocholine

Created:2014-07-09
Last modified:  2021-03-13

Help

Find related ligands:

Chemical Details

Formal Charge1
Atom Count71
Chiral Atom Count1
Bond Count70
Aromatic Bond Count0
2D diagram of HXG

WebGL does not seem to be available.

This can be caused by an outdated browser, graphics card driver issue, or bad weather. Sometimes, just restarting the browser helps. Also, make sure hardware acceleration is enabled in your browser.

For a list of supported browsers, refer to http://caniuse.com/#feat=webgl.

Toggle HydrogenToggle Labels

Chemical Component Summary

Name1,2-dihexanoyl-sn-glycero-3-phosphocholine
Synonyms(4R,7R)-7-(hexanoyloxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphapentadecan-1-aminium 4-oxide
Systematic Name (OpenEye OEToolkits)2-[[(2R)-2,3-di(hexanoyloxy)propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium
FormulaC20 H41 N O8 P
Molecular Weight454.515
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(OCC(OC(=O)CCCCC)COP(=O)(OCC[N+](C)(C)C)O)CCCCC
SMILESCACTVS3.385CCCCCC(=O)OC[CH](CO[P](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCC
SMILESOpenEye OEToolkits1.9.2CCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCC
Canonical SMILESCACTVS3.385 CCCCCC(=O)OC[C@H](CO[P](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCC
Canonical SMILESOpenEye OEToolkits1.9.2 CCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCC
InChIInChI1.03 InChI=1S/C20H40NO8P/c1-6-8-10-12-19(22)26-16-18(29-20(23)13-11-9-7-2)17-28-30(24,25)27-15-14-21(3,4)5/h18H,6-17H2,1-5H3/p+1/t18-/m1/s1
InChIKeyInChI1.03 DVZARZBAWHITHR-GOSISDBHSA-O

Related Resource References

Resource NameReference
PubChem 5313798
ChEBI CHEBI:60274