WNZ

(2R)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(dodecanoyloxy)propyl dodecanoate

Created:2022-10-04
Last modified:  2023-05-24

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Chemical Details

Formal Charge0
Atom Count97
Chiral Atom Count1
Bond Count96
Aromatic Bond Count0
2D diagram of WNZ

Chemical Component Summary

Name(2R)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(dodecanoyloxy)propyl dodecanoate
Systematic Name (OpenEye OEToolkits)[(2~{R})-3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-dodecanoyloxy-propyl] dodecanoate
FormulaC29 H58 N O8 P
Molecular Weight579.746
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01NCCOP(O)(=O)OCC(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC
SMILESCACTVS3.385CCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCCCCCCCC
SMILESOpenEye OEToolkits2.0.7CCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCC
Canonical SMILESCACTVS3.385 CCCCCCCCCCCC(=O)OC[C@H](CO[P](O)(=O)OCCN)OC(=O)CCCCCCCCCCC
Canonical SMILESOpenEye OEToolkits2.0.7 CCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCC
InChIInChI1.06 InChI=1S/C29H58NO8P/c1-3-5-7-9-11-13-15-17-19-21-28(31)35-25-27(26-37-39(33,34)36-24-23-30)38-29(32)22-20-18-16-14-12-10-8-6-4-2/h27H,3-26,30H2,1-2H3,(H,33,34)/t27-/m1/s1
InChIKeyInChI1.06 ZLGYVWRJIZPQMM-HHHXNRCGSA-N

Related Resource References

Resource NameReference
PubChem 9546801, 90657571