![5'-O-[[(DIHYDROXY-PHOSPHORYLMETHYL)-HYDROXYPHOSPHORYLMETHYL]-HYDROXYPHOSPHORYL]-CYTIDINE](/api/spectrum/8LCz30LcT3L/structure.png?h=300&w=458 "5'-O-[[(DIHYDROXY-PHOSPHORYLMETHYL)-HYDROXYPHOSPHORYLMETHYL]-HYDROXYPHOSPHORYL]-CYTIDINE")
| SpectraBase Compound ID | INo1vLRi4Jo |
|---|---|
| InChI | InChI=1S/C11H20N3O12P3.4Na/c12-7-1-2-14(11(17)13-7)10-9(16)8(15)6(26-10)3-25-29(23,24)5-27(18,19)4-28(20,21)22;;;;/h1-2,6,8-10,15-16H,3-5H2,(H,18,19)(H,23,24)(H2,12,13,17)(H2,20,21,22);;;;/q;4*+1/p-4/t6-,8-,9-,10-;;;;/m0..../s1 |
| InChIKey | AAXWWEYYHIEQIH-ZJLYJBFASA-J |
| Mol Weight | 567.13836312 g/mol |
| Molecular Formula | C11H16N3Na4O12P3 |
| Exact Mass | 566.953761 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8LCz30LcT3L |
|---|---|
| Name | 5'-O-[[(DIHYDROXY-PHOSPHORYLMETHYL)-HYDROXYPHOSPHORYLMETHYL]-HYDROXYPHOSPHORYL]-CYTIDINE |
| Compound Number | 25 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C11H16N3Na4O12P3 |
| InChI | InChI=1S/C11H20N3O12P3.4Na/c12-7-1-2-14(11(17)13-7)10-9(16)8(15)6(26-10)3-25-29(23,24)5-27(18,19)4-28(20,21)22;;;;/h1-2,6,8-10,15-16H,3-5H2,(H,18,19)(H,23,24)(H2,12,13,17)(H2,20,21,22);;;;/q;4*+1/p-4/t6-,8-,9-,10-;;;;/m0..../s1 |
| InChIKey | AAXWWEYYHIEQIH-ZJLYJBFASA-J |
| Literature Reference Author | S.D.TAYLOR,F.MIRZAEI,S.L.BEARNE |
| Literature Reference Citation | ORG.LETTERS,8,4243(2006) |
| Literature Reference DOI | 10.1021/ol0615432 |
| Molecular Weight | 567.141 g/mol |
| Sample ID | 61415 |
| Solvent | D2O |