Pseudouridine 5′-monophosphate CAS#: 1157-60-4; 凯望编码 (ChemWhat Code): 120240

IdentificationPhysical DataSpectra
Route of Synthesis (ROS)Safety and HazardsOther Data

Identification

英文名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
分子结构structure of Pseudouridine 5'-monophosphate CAS 1157-60-4
CAS编号 1157-60-4
别名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
分子式C9H13N2O9P
分子量324.18
InChIInChI=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 KeyMOBMOJGXNHLLIR-GBNDHIKLSA-N
Isomeric SMILESC1=C(C(=O)NC(=O)N1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O

Physical Data

AppearanceWhite solid

Spectra

Description (NMR Spectroscopy)Nucleus (NMR Spectroscopy)
NMR
NMR1H-NMR

Route of Synthesis (ROS)

Route of Synthesis (ROS) of Pseudouridine 5'-monophosphate CAS 1157-60-4

Route of Synthesis (ROS) of Pseudouridine 5′-monophosphate CAS 1157-60-4

ConditionsYield
http://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
StorageStore at -20°C for long time, in container tightly sealed; Protect from light.
Shelf Life2 years
Market Price
Druglikeness
Lipinski rules component
分子量324.184
logP-4.135
HBA11
HBD6
Matching Lipinski Rules2
Veber rules component
Polar Surface Area (PSA)184.46
Rotatable Bond (RotB)4
Matching Veber Rules1
Quantitative Results
1 of 3Comment (Pharmacological Data)Bioactivities present
ReferenceSynthesis and conformational properties of diribonucleoside monophosphates containing modified nucleosides as found in transfer RNA.
2 of 3Comment (Pharmacological Data)Bioactivities present
ReferenceHDHD1, which is often deleted in X-linked ichthyosis, encodes a pseudouridine-5′-phosphatase
3 of 3Comment (Pharmacological Data)Bioactivities present
ReferenceHDHD1, 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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