46E
(2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradecanoyloxy)propyl tetradecanoate
| Created: | 2015-02-10 |
| Last modified: | 2016-07-20 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 109 |
| Chiral Atom Count | 1 |
| Bond Count | 108 |
| Aromatic Bond Count | 0 |
Chemical Component Summary | |
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| Name | (2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradecanoyloxy)propyl tetradecanoate |
| Systematic Name (OpenEye OEToolkits) | [(2R)-3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-tetradecanoyloxy-propyl] tetradecanoate |
| Formula | C33 H66 N O8 P |
| Molecular Weight | 635.853 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
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| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(OCC(OC(=O)CCCCCCCCCCCCC)COP(=O)(OCCN)O)CCCCCCCCCCCCC |
| SMILES | CACTVS | 3.385 | CCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCC |
| Canonical SMILES | CACTVS | 3.385 | CCCCCCCCCCCCCC(=O)OC[C@H](CO[P](O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC |
| Canonical SMILES | OpenEye OEToolkits | 1.9.2 | CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCC |
| InChI | InChI | 1.03 | InChI=1S/C33H66NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-32(35)39-29-31(30-41-43(37,38)40-28-27-34)42-33(36)26-24-22-20-18-16-14-12-10-8-6-4-2/h31H,3-30,34H2,1-2H3,(H,37,38)/t31-/m1/s1 |
| InChIKey | InChI | 1.03 | NEZDNQCXEZDCBI-WJOKGBTCSA-N |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 9852308, 15061529 |
