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CAS No.: | 1445-07-4 |
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Name: | BETA-PSEUDOURIDINE |
Article Data: | 21 |
Cas Database | |
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 |
5'-O-(tert-butyldiphenylsilyl)-2',3'-O-(isopropylidene)pseudouridine
pseudouridine
Conditions | Yield |
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With trifluoroacetic acid at 20℃; for 1h; | 100% |
pseudouridine
Conditions | Yield |
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at 70℃; for 2h; pH=9; | 100% |
5-(2,3-O-isopropylidene-β-D-ribofuranosyl)uracil
pseudouridine
Conditions | Yield |
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With hydrogenchloride In methanol at 20℃; for 5h; | 93% |
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
pseudouridine
Conditions | Yield |
---|---|
With acetic acid at 50℃; for 5h; | 93% |
(2S,3S,4R,5R)-2-(2,4-dimethoxypyrimidin-5-yl)-5-hydroxymethyltetrahydrofuran-3,4-diol
pseudouridine
Conditions | Yield |
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With acetic acid; sodium iodide for 0.75h; Inert atmosphere; Reflux; | 90% |
5-((3S,4R,5R)-3,4-Dimethoxy-5-methoxymethyl-tetrahydro-furan-2-yl)-1H-pyrimidine-2,4-dione
A
pseudouridine
B
α-pseudouridine
Conditions | Yield |
---|---|
With boron tribromide In dichloromethane at -78℃; for 144h; | A 53% B n/a |
5-((3S,4R,5R)-3,4-Bis-benzyloxy-5-benzyloxymethyl-tetrahydro-furan-2-yl)-1H-pyrimidine-2,4-dione
A
pseudouridine
B
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; |
(1S)-tri-O-acetyl-1-(2,4-bis-methylsulfanyl-pyrimidin-5-yl)-D-1,4-anhydro-ribitol
pseudouridine
Conditions | Yield |
---|---|
(i) MCPBA, (ii) H2O, (iii) NaOMe, MeOH; Multistep reaction; |
(1Ξ)-O2,O4;O3,O5-(R,R)-dibenzylidene-1-(2,4-bis-benzyloxy-pyrimidin-5-yl)-D-ribitol
A
(Ξ)-5-ξ-D-ribopyranosyl-pyrimidine-2,4-dione
B
pseudouridine
C
α-pseudouridine
Conditions | Yield |
---|---|
(i) BBr3, THF, (ii) MeOH, CH2Cl2; Multistep reaction; |
(2S,3R,4R)-2,3,5-Tris-benzyloxy-1-(2,4-di-tert-butoxy-pyrimidin-5-yl)-pentane-1,4-diol
A
pseudouridine
B
α-pseudouridine
Conditions | Yield |
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With boron trichloride In dichloromethane at -78℃; for 18h; |
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