PA8

1,2-DIOCTANOYL-SN-GLYCERO-3-PHOSPHATE

Created:2004-08-02
Last modified:  2011-06-04

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Chemical Details

Formal Charge-1
Atom Count64
Chiral Atom Count1
Bond Count63
Aromatic Bond Count0
2D diagram of PA8

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Chemical Component Summary

Name1,2-DIOCTANOYL-SN-GLYCERO-3-PHOSPHATE
Systematic Name (OpenEye OEToolkits)[(2R)-2,3-di(octanoyloxy)propyl] hydrogen phosphate
FormulaC19 H36 O8 P
Molecular Weight423.458
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=P([O-])(O)OCC(OC(=O)CCCCCCC)COC(=O)CCCCCCC
SMILESCACTVS3.341CCCCCCCC(=O)OC[CH](CO[P](O)([O-])=O)OC(=O)CCCCCCC
SMILESOpenEye OEToolkits1.5.0CCCCCCCC(=O)OCC(COP(=O)(O)[O-])OC(=O)CCCCCCC
Canonical SMILESCACTVS3.341 CCCCCCCC(=O)OC[C@H](CO[P](O)([O-])=O)OC(=O)CCCCCCC
Canonical SMILESOpenEye OEToolkits1.5.0 CCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)[O-])OC(=O)CCCCCCC
InChIInChI1.03 InChI=1S/C19H37O8P/c1-3-5-7-9-11-13-18(20)25-15-17(16-26-28(22,23)24)27-19(21)14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H2,22,23,24)/p-1/t17-/m1/s1
InChIKeyInChI1.03 XYSBQYUENLDGMI-QGZVFWFLSA-M

Related Resource References

Resource NameReference
PubChem 25200673