| SpectraBase Compound ID | 3IYvLJXBJem |
|---|---|
| InChI | InChI=1S/C6H16O18P4.8Na/c7-1-3(21-25(9,10)11)5(23-27(15,16)17)2(8)6(24-28(18,19)20)4(1)22-26(12,13)14;;;;;;;;/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20);;;;;;;;/q;8*+1/p-8/t1-,2-,3-,4-,5-,6+;;;;;;;;/m1......../s1 |
| InChIKey | VIJKPWXGSVVAAF-NOVKAFAZSA-F |
| Mol Weight | 675.92520225 g/mol |
| Molecular Formula | C6H8Na8O18P4 |
| Exact Mass | 675.784266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9m0LmqSqAzT |
|---|---|
| Name | MYO-INOSITOL-1,2,4,5-TETRAKIS-PHOSPHATE-SODIUM-SALT |
| Compound Number | 13C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C6H8Na8O18P4 |
| InChI | InChI=1S/C6H16O18P4.8Na/c7-1-3(21-25(9,10)11)5(23-27(15,16)17)2(8)6(24-28(18,19)20)4(1)22-26(12,13)14;;;;;;;;/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20);;;;;;;;/q;8*+1/p-8/t1-,2-,3-,4-,5-,6+;;;;;;;;/m1......../s1 |
| InChIKey | VIJKPWXGSVVAAF-NOVKAFAZSA-F |
| Literature Reference Author | S.K.CHUNG,Y.U.KWON,J.H.SHIN,Y.T.CHANG,C.LEE,B.G.SHIN,K.C.KIM ,M.J.KIM |
| Literature Reference Citation | J.ORG.CHEM.,67,5626(2002) |
| Literature Reference DOI | 10.1021/jo0257694 |
| Molecular Weight | 675.932 g/mol |
| Solvent | D2O;PH=10 |
| Source File Reference | UWVN23525 |