![(2'-S)-1-D-1,2-O-[(2'-PHOSPHORYLOXY)-PROPANE-1',3'-DIYL]-MYO-INOSITOL-4,5-BISPHOSPHATE-TRIETHYLAMMONIUM-SALT](/api/spectrum/3stw3Ouog4p/structure.png?h=300&w=458 "(2'-S)-1-D-1,2-O-[(2'-PHOSPHORYLOXY)-PROPANE-1',3'-DIYL]-MYO-INOSITOL-4,5-BISPHOSPHATE-TRIETHYLAMMONIUM-SALT")
| SpectraBase Compound ID | 33iffiApbeR |
|---|---|
| InChI | InChI=1S/C9H19O16P3.C6H15N/c10-4-6-7(22-2-3(1-21-6)23-26(12,13)14)5(11)9(25-28(18,19)20)8(4)24-27(15,16)17;1-4-7(5-2)6-3/h3-11H,1-2H2,(H2,12,13,14)(H2,15,16,17)(H2,18,19,20);4-6H2,1-3H3/p-5/t3-,4-,5-,6+,7-,8+,9+;/m0./s1 |
| InChIKey | DLXSJDQIFCFOFH-PBOXBJORSA-I |
| Mol Weight | 572.31 g/mol |
| Molecular Formula | C15H29NO16P3 |
| Exact Mass | 572.06992 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3stw3Ouog4p |
|---|---|
| Name | (2'-S)-1-D-1,2-O-[(2'-PHOSPHORYLOXY)-PROPANE-1',3'-DIYL]-MYO-INOSITOL-4,5-BISPHOSPHATE-TRIETHYLAMMONIUM-SALT |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C15H29NO16P3 |
| InChI | InChI=1S/C9H19O16P3.C6H15N/c10-4-6-7(22-2-3(1-21-6)23-26(12,13)14)5(11)9(25-28(18,19)20)8(4)24-27(15,16)17;1-4-7(5-2)6-3/h3-11H,1-2H2,(H2,12,13,14)(H2,15,16,17)(H2,18,19,20);4-6H2,1-3H3/p-5/t3-,4-,5-,6+,7-,8+,9+;/m0./s1 |
| InChIKey | DLXSJDQIFCFOFH-PBOXBJORSA-I |
| Literature Reference Author | A.M.RILEY,V.CORREA,M.F.MAHON,C.W.TAYLOR,B.V.L.POTTER |
| Literature Reference Citation | J.MED.CHEM.,44,2108(2001) |
| Literature Reference DOI | 10.1021/jm0005499 |
| Solvent | D2O |
| Source File Reference | UWSI44551 |