Pseudouridine 5′-monophosphate CAS#: 1157-60-4; ChemWhat Code: 120240
Identification
| Product Name | Pseudouridine 5′-monophosphate |
| IUPAC Name | [(2R,3S,4R,5S)-5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate |
| Molecular Structure |  |
| CAS Registry Number | 1157-60-4 |
| Synonyms | pseudouridine 5′-phosphate Pseudouridylic acid 1157-60-4 Pseudouridine-5′-Monophosphate 2,4(1H,3H)-Pyrimidinedione, 5-(5-O-phosphono-beta-D-ribofuranosyl)- [(2R,3S,4R,5S)-5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate (1S)-1,4-anhydro-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-O-phosphono-D-ribitol {[(2R,3S,4R,5S)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid [5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxy-oxolan-2-yl]methoxyphosphonic acid Pseudouridine monophosphate SCHEMBL851399 88NC65Q5EZ CHEBI:18116 DB03829 C01168 Q27102833 Uracil, 5-beta-D-ribofuranosyl-, 5′-(dihydrogen phosphate) 5-(5-O-Phosphono-beta-D-ribofuranosyl)-2,4(1H,3H)-pyrimidinedione 5-(5-O-phosphono-beta-D-ribofuranosyl)pyrimidine-2,4(1H,3H)-dione ((2R,3S,4R,5S)-5-(2,4-Dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphate (1S)-1,4-anhydro-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-D-ribitol 5-(dihydrogen phosphate) PSU |
| Molecular Formula | C9H13N2O9P |
| Molecular Weight | 324.18 |
| InChI | InChI=1S/C9H13N2O9P/c12-5-4(2-19-21(16,17)18)20-7(6(5)13)3-1-10-9(15)11-8(3)14/h1,4-7,12-13H,2H2,(H2,16,17,18)(H2,10,11,14,15)/t4-,5-,6-,7+/m1/s1 |
| InChI Key | MOBMOJGXNHLLIR-GBNDHIKLSA-N |
| Isomeric SMILES | C1=C(C(=O)NC(=O)N1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O |
Physical Data
| Appearance | White solid |
Spectra
| Description (NMR Spectroscopy) | Nucleus (NMR Spectroscopy) |
| NMR | |
| NMR | 1H-NMR |
Route of Synthesis (ROS)
Route of Synthesis (ROS) of Pseudouridine 5′-monophosphate CAS 1157-60-4
| Conditions | Yield |
| https://www.chemwhat.com/wp-content/uploads/2017/12/Route-of-Synthesis-ROS-of-Pseudouridine-5-monophosphate-CAS-1157-60-4.png |
Safety and Hazards
No data available
Other Data
| Store at -20°C for long time, in container tightly sealed; Protect from light. | |
| HS Code | |
| Storage | Store at -20°C for long time, in container tightly sealed; Protect from light. |
| Shelf Life | 2 years |
| Market Price |
| Druglikeness | |
| Lipinski rules component | |
| Molecular Weight | 324.184 |
| logP | -4.135 |
| HBA | 11 |
| HBD | 6 |
| Matching Lipinski Rules | 2 |
| Veber rules component | |
| Polar Surface Area (PSA) | 184.46 |
| Rotatable Bond (RotB) | 4 |
| Matching Veber Rules | 1 |
| Quantitative Results | ||
| 1 of 3 | Comment (Pharmacological Data) | Bioactivities present |
| Reference | Synthesis and conformational properties of diribonucleoside monophosphates containing modified nucleosides as found in transfer RNA. | |
| 2 of 3 | Comment (Pharmacological Data) | Bioactivities present |
| Reference | HDHD1, which is often deleted in X-linked ichthyosis, encodes a pseudouridine-5′-phosphatase | |
| 3 of 3 | Comment (Pharmacological Data) | Bioactivities present |
| Reference | HDHD1, which is often deleted in X-linked ichthyosis, encodes a pseudouridine-5′-phosphatase |
| Use Pattern |
| Pseudouridine 5′-monophosphate CAS#: 1157-60-4 purity 96% min and is used be a IVD |
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