| SpectraBase Compound ID | IB7NZZUnoXZ |
|---|---|
| InChI | InChI=1S/2C14H25N3O14P2.4N/c2*1-14(23,6-18)8(19)5-29-33(26,27)31-32(24,25)28-4-7-10(20)11(21)12(30-7)17-3-2-9(15)16-13(17)22;;;;/h2*2-3,7-8,10-12,18-21,23H,4-6H2,1H3,(H,24,25)(H,26,27)(H2,15,16,22);;;;/q;;4*+1/p-4/t2*7-,8-,10-,11-,12-,14+;;;;/m11..../s1 |
| InChIKey | XBTQNJSTPJMIFZ-LRIMEOAOSA-J |
| Mol Weight | 1094.613 g/mol |
| Molecular Formula | C28H46N10O28P4 |
| Exact Mass | 1094.143349 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HQkIaBmA2va |
|---|---|
| Name | 4-DIPHOSPHOCYTIDYL-2-C-METHYL-D-ERYTHRITOL |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H46N10O28P4 |
| InChI | InChI=1S/2C14H25N3O14P2.4N/c2*1-14(23,6-18)8(19)5-29-33(26,27)31-32(24,25)28-4-7-10(20)11(21)12(30-7)17-3-2-9(15)16-13(17)22;;;;/h2*2-3,7-8,10-12,18-21,23H,4-6H2,1H3,(H,24,25)(H,26,27)(H2,15,16,22);;;;/q;;4*+1/p-4/t2*7-,8-,10-,11-,12-,14+;;;;/m11..../s1 |
| InChIKey | XBTQNJSTPJMIFZ-LRIMEOAOSA-J |
| Literature Reference Author | A.T.KOPPISCH,C.D.POULTER |
| Literature Reference Citation | J.ORG.CHEM.,67,5416(2002) |
| Literature Reference DOI | 10.1021/jo025736o |
| Solvent | D2O |
| Source File Reference | UWVN23438 |