L2C

(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATE

Created: 2006-07-31
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count75
Chiral Atom Count1
Bond Count74
Aromatic Bond Count0
2D diagram of L2C

Chemical Component Summary

Name(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATE
Systematic Name (OpenEye OEToolkits)[(2S)-3-hydroxy-2-nonanoyloxy-propyl] dodecanoate
FormulaC24 H46 O5
Molecular Weight414.619
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C(OC(COC(=O)CCCCCCCCCCC)CO)CCCCCCCC
SMILESCACTVS3.341CCCCCCCCCCCC(=O)OC[CH](CO)OC(=O)CCCCCCCC
SMILESOpenEye OEToolkits1.5.0CCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCC
Canonical SMILESCACTVS3.341 CCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCC
Canonical SMILESOpenEye OEToolkits1.5.0 CCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCC
InChIInChI1.03 InChI=1S/C24H46O5/c1-3-5-7-9-11-12-13-15-16-18-23(26)28-21-22(20-25)29-24(27)19-17-14-10-8-6-4-2/h22,25H,3-21H2,1-2H3/t22-/m0/s1
InChIKeyInChI1.03 MYFVXYUACRBWGD-QFIPXVFZSA-N

Related Resource References

Resource NameReference
PubChem 15991540