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 | |
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Formal Charge | 0 |
Atom Count | 97 |
Chiral Atom Count | 1 |
Bond Count | 96 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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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 |
Formula | C29 H58 N O8 P |
Molecular Weight | 579.746 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | NCCOP(O)(=O)OCC(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC |
SMILES | CACTVS | 3.385 | CCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCCCCCCCC |
SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCC |
Canonical SMILES | CACTVS | 3.385 | CCCCCCCCCCCC(=O)OC[C@H](CO[P](O)(=O)OCCN)OC(=O)CCCCCCCCCCC |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCC |
InChI | InChI | 1.06 | 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 |
InChIKey | InChI | 1.06 | ZLGYVWRJIZPQMM-HHHXNRCGSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 9546801, 90657571 |