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| CAS No.: | 146-80-5 |
|---|---|
| Name: | Xanthosine |
| Molecular Structure: | |
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| Formula: | C10H12N4O6 |
| Molecular Weight: | 284.228 |
| Synonyms: | Dideoxycytidine; 2',3'-Dideoxycytidine; DDC |
| EINECS: | 205-679-9 |
| Density: | 2.25 g/cm3 |
| Melting Point: | 174～176℃ |
| Boiling Point: | 828.2 °C at 760 mmHg |
| Flash Point: | 454.7 °C |
| Safety: | 24/25 |
| PSA: | 153.46000 |
| LogP: | -2.97560 |
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Specification
This chemical is called Xanthosine, and its CAS registry number is 146-80-5. With the molecular formula of C10H12N4O6, its product categories are Biochemistry; Nucleosides and their analogs; Nucleosides, Nucleotides & Related Reagents. In addition, this chemical should be sealed in the cool and dry plcace. It is a nucleoside derived from xanthine and ribose.
Other characteristics of the Xanthosine can be summarised as followings: (1)ACD/LogP: -2.08; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -2.09; (4)ACD/LogD (pH 7.4): -2.43; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.73; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 10; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 95.36 Å2; (13)Index of Refraction: 1.925; (14)Molar Refractivity: 59.74 cm3; (15)Molar Volume: 125.9 cm3; (16)Polarizability: 23.68×10-24cm3; (17)Surface Tension: 120.1 dyne/cm; (18)Density: 2.25 g/cm3; (19)Flash Point: 454.7 °C; (20)Enthalpy of Vaporization: 126.18 kJ/mol; (21)Boiling Point: 828.2 °C at 760 mmHg; (22)Vapour Pressure: 4.6E-29 mmHg at 25°C.
Production method of this chemical: The Xanthosine could be obtained by the reactant of guanosine. This reaction needs the reagents of NO, O2, and the solvent of dimethylsulfoxide. The yield is 81 %. In addition, this reaction should be taken for 1 hour at the ambient temperature.
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Uses of this chemical: The 2-O-(R)-Formyl-(xanthin-9-yl)methyl-(R)-glyceraldehyde could be obtained by the Xanthosine. This reaction needs the reagent of NaIO4, and the solvent of H2O. The yield is 92 %.
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You can still convert the following datas into molecular structure:
1.SMILES: O=C3Nc1c(ncn1[C@@H]2O[C@@H]([C@@H](O)[C@H]2O)CO)C(=O)N3
2.InChI: InChI=1/C10H12N4O6/c15-1-3-5(16)6(17)9(20-3)14-2-11-4-7(14)12-10(19)13-8(4)18/h2-3,5-6,9,15-17H,1H2,(H2,12,13,18,19)/t3-,5-,6-,9-/m1/s1
3.InChIKey: UBORTCNDUKBEOP-UUOKFMHZBM