![1-[(2R,3R)-4-(2-Aminoethoxyphosphoryloxy)-2,3-di-o-palmitoylbutoxyphosphoryloxy]-4,5-myo-bisphosphate](/api/spectrum/LYabKdlHTsZ/structure.png?h=300&w=458 "1-[(2R,3R)-4-(2-Aminoethoxyphosphoryloxy)-2,3-di-o-palmitoylbutoxyphosphoryloxy]-4,5-myo-bisphosphate")
| SpectraBase Compound ID | GuSsphFh1Ao |
|---|---|
| InChI | InChI=1S/C44H89NO23P4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37(46)64-35(33-62-71(57,58)61-32-31-45)36(65-38(47)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)34-63-72(59,60)68-42-39(48)40(49)43(66-69(51,52)53)44(41(42)50)67-70(54,55)56/h35-36,39-44,48-50H,3-34,45H2,1-2H3,(H,57,58)(H,59,60)(H2,51,52,53)(H2,54,55,56)/p-6/t35-,36-,39+,40+,41-,42+,43+,44+/m0/s1 |
| InChIKey | ORFSOPXUSMTXBS-YWVJMMRVSA-H |
| Mol Weight | 1118.0 g/mol |
| Molecular Formula | C44H83NO23P4 |
| Exact Mass | 1117.430636 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LYabKdlHTsZ |
|---|---|
| Name | 1-[(2R,3R)-4-(2-AMINOETHOXYPHOSPHORYLOXY)-2,3-DI-O-PALMITOYLBUTOXYPHOSPHORYLOXY]-4,5-MYO-BISPHOSPHATE |
| Compound Number | 11 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H83NO23P4 |
| InChI | InChI=1S/C44H89NO23P4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37(46)64-35(33-62-71(57,58)61-32-31-45)36(65-38(47)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)34-63-72(59,60)68-42-39(48)40(49)43(66-69(51,52)53)44(41(42)50)67-70(54,55)56/h35-36,39-44,48-50H,3-34,45H2,1-2H3,(H,57,58)(H,59,60)(H2,51,52,53)(H2,54,55,56)/p-6/t35-,36-,39+,40+,41-,42+,43+,44+/m0/s1 |
| InChIKey | ORFSOPXUSMTXBS-YWVJMMRVSA-H |
| Literature Reference Author | P.W.RZEPECKI,G.D.PRESTWICH |
| Literature Reference Citation | J.ORG.CHEM.,67,5454(2002) |
| Literature Reference DOI | 10.1021/jo011185a |
| Solvent | D2O |
| Source File Reference | UWSI21899 |