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| CAS No.: | 1445-07-4 |
|---|---|
| Name: | BETA-PSEUDOURIDINE |
| Molecular Structure: | |
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| Formula: | C9H12N2O6 |
| Molecular Weight: | 244.204 |
| Synonyms: | Uracil,5-b-D-ribofuranosyl- (6CI,7CI,8CI);5-(b-D-Ribofuranosyl)uracil;5-Ribosyluracil;NSC 162405;Pseudouridine;Pseudouridine C;b-D-Pseudouridine;b-Pseudouridine;y-Uridine; |
| Density: | 1.641 g/cm3 |
| Melting Point: | 222 °C |
| Boiling Point: | 598.4 °C at 760 mmHg |
| Flash Point: | 315.7 °C |
| PSA: | 135.64000 |
| LogP: | -2.78280 |
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- 5156-58-1N-(1-Benzyl-4-pipperidinyl)-N-phenylpropanamide HCl
- 81281-59-67-Benzylideneaminotheophylline
- 50288-62-5threo-Phenyl-2-piperidyl acetamide
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 47087-37-6Z-D-Glu-OMe
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 1024616-70-3
5'-O-(tert-butyldiphenylsilyl)-2',3'-O-(isopropylidene)pseudouridine
- 1445-07-4
pseudouridine
| Conditions | Yield |
|---|---|
| With trifluoroacetic acid at 20℃; for 1h; | 100% |
- 1445-07-4
pseudouridine
| Conditions | Yield |
|---|---|
| at 70℃; for 2h; pH=9; | 100% |
- 28113-58-8
5-(2,3-O-isopropylidene-β-D-ribofuranosyl)uracil
- 1445-07-4
pseudouridine
| Conditions | Yield |
|---|---|
| With hydrogenchloride In methanol at 20℃; for 5h; | 93% |
- 631920-69-9
2,4-Di-tert-butoxy-5-[(3aS,4S,6R,6aR)-6-(1-methoxy-1-methyl-ethoxymethyl)-2,2-dimethyl-tetrahydro-furo[3,4-d][1,3]dioxol-4-yl]-pyrimidine
- 1445-07-4
pseudouridine
| Conditions | Yield |
|---|---|
| With acetic acid at 50℃; for 5h; | 93% |
- 68168-19-4
(2S,3S,4R,5R)-2-(2,4-dimethoxypyrimidin-5-yl)-5-hydroxymethyltetrahydrofuran-3,4-diol
- 1445-07-4
pseudouridine
| Conditions | Yield |
|---|---|
| With acetic acid; sodium iodide for 0.75h; Inert atmosphere; Reflux; | 90% |
- 78119-28-5, 78119-29-6
5-((3S,4R,5R)-3,4-Dimethoxy-5-methoxymethyl-tetrahydro-furan-2-yl)-1H-pyrimidine-2,4-dione
A
- 1445-07-4
pseudouridine
B
- 10017-66-0
α-pseudouridine
| Conditions | Yield |
|---|---|
| With boron tribromide In dichloromethane at -78℃; for 144h; | A 53% B n/a |
- 78119-26-3, 78119-27-4
5-((3S,4R,5R)-3,4-Bis-benzyloxy-5-benzyloxymethyl-tetrahydro-furan-2-yl)-1H-pyrimidine-2,4-dione
A
- 1445-07-4
pseudouridine
B
- 10017-66-0
α-pseudouridine
| Conditions | Yield |
|---|---|
| With boron trichloride In dichloromethane at -78℃; | A 42% B n/a |
| With boron trichloride In dichloromethane at -78℃; Yields of byproduct given; |
- 64714-46-1
(1S)-tri-O-acetyl-1-(2,4-bis-methylsulfanyl-pyrimidin-5-yl)-D-1,4-anhydro-ribitol
- 1445-07-4
pseudouridine
| Conditions | Yield |
|---|---|
| (i) MCPBA, (ii) H2O, (iii) NaOMe, MeOH; Multistep reaction; |
- 67320-14-3, 67320-15-4
(1Ξ)-O2,O4;O3,O5-(R,R)-dibenzylidene-1-(2,4-bis-benzyloxy-pyrimidin-5-yl)-D-ribitol
A
- 20337-08-0, 67375-32-0
(Ξ)-5-ξ-D-ribopyranosyl-pyrimidine-2,4-dione
B
- 1445-07-4
pseudouridine
C
- 10017-66-0
α-pseudouridine
| Conditions | Yield |
|---|---|
| (i) BBr3, THF, (ii) MeOH, CH2Cl2; Multistep reaction; |
- 78119-22-9, 78119-23-0
(2S,3R,4R)-2,3,5-Tris-benzyloxy-1-(2,4-di-tert-butoxy-pyrimidin-5-yl)-pentane-1,4-diol
A
- 1445-07-4
pseudouridine
B
- 10017-66-0
α-pseudouridine
| Conditions | Yield |
|---|---|
| With boron trichloride In dichloromethane at -78℃; for 18h; |
- 1445580-60-85F-MN24
- 1445-79-0TRIMETHYLGALLIUM
- 1446134-16-23-chloro-2-[3-(chloroacetyl)-4,5-dihydro-1,2-oxazol-5-yl]phenyl methanesulfonate
- 14461-91-7Cyclazodone
- 14464-46-1SILICA
- 144747-22-8Dehymuls PGPH
- 144750-42-5CLOPIDOGREL RELATED COMPOUND A (20 MG) ((S)-(O-CHLOROPHENYL)-6,7-DIHYDROTHIENO[3,2-C]PYRI-DINE-5(4H)-ACETIC ACID, HYDROCHLORIDE)
- 144-82-1SULFAMETHIZOLE
- 104987-11-3Tacrolimus
- 141-53-7Sodium formate
- 8001-54-5Quaternary ammonium compounds, alkylbenzyldimethyl, chlorides
- 9003-39-8Povidone
- 10161-34-9Trenbolone acetate
- 402957-28-2Telaprevir
- 68-19-9Cyanocobalamin
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Specification
The Pseudouridine is an organic compound with the formula C9H12N2O6. The IUPAC name of this chemical is 5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione. With the CAS registry number 1445-07-4, it is also named as 2,4(1H,3H)-Pyrimidinedione, 5-β-D-ribofuranosyl-. Besides, it may offer protection from radiation.
Physical properties about Pseudouridine are: (1)ACD/LogP: -0.37; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -0.37; (4)ACD/LogD (pH 7.4): -0.41; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 14.94; (8)ACD/KOC (pH 7.4): 13.82; (9)#H bond acceptors: 8; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 77.54 Å2; (13)Index of Refraction: 1.623; (14)Molar Refractivity: 52.5 cm3; (15)Molar Volume: 148.7 cm3; (16)Polarizability: 20.81×10-24cm3; (17)Surface Tension: 80.3 dyne/cm; (18)Density: 1.641 g/cm3; (19)Flash Point: 315.7 °C; (20)Enthalpy of Vaporization: 93.71 kJ/mol; (21)Boiling Point: 598.4 °C at 760 mmHg; (22)Vapour Pressure: 3.63E-15 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1N\C=C(/C(=O)N1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O
(2)InChI: InChI=1/C9H12N2O6/c12-2-4-5(13)6(14)7(17-4)3-1-10-9(16)11-8(3)15/h1,4-7,12-14H,2H2,(H2,10,11,15,16)/t4-,5-,6-,7+/m1/s1
(3)InChIKey: PTJWIQPHWPFNBW-GBNDHIKLBY
(4)Std. InChI: InChI=1S/C9H12N2O6/c12-2-4-5(13)6(14)7(17-4)3-1-10-9(16)11-8(3)15/h1,4-7,12-14H,2H2,(H2,10,11,15,16)/t4-,5-,6-,7+/m1/s1
(5)Std. InChIKey: PTJWIQPHWPFNBW-GBNDHIKLSA-N