Basic information
- Name:
Uridine, 3'-deoxy-
- CAS No.:
7057-27-4
- Molecular Structure:
- Formula:
- C9H12N2O5
- Molecular Weight:
- 228.202
- Synonyms:
- 3'-Deoxyuridine;
- Density:
- 1.533 g/cm3
- Melting Point:
- 176-177 °C
- Appearance:
- white solid
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Specification
The Uridine, 3'-deoxy-, with the CAS registry number 7057-27-4, is also known as 3'-Deoxyuridine. It belongs to the product categories of Bases & Related Reagents; Carbohydrates & Derivatives; Heterocycles; Nucleotides. This chemical's molecular formula is C9H12N2O5 and molecular weight is 228.2. What's more, its IUPAC name is 1-[(2R, 3R, 5S)-3-Hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2, 4-dione. Besides, it can be used as a potential anti-cancer and anti-viral agents.
Physical properties about Uridine, 3'-deoxy- are: (1)ACD/LogP: -1.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.75; (4)ACD/LogD (pH 7.4): -1.79; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.66; (8)ACD/KOC (pH 7.4): 2.43; (9)#H bond acceptors: 7; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 68.31 Å2; (13)Index of Refraction: 1.603; (14)Molar Refractivity: 51.14 cm3; (15)Molar Volume: 148.8 cm3; (16)Polarizability: 20.27×10-24 cm3; (17)Surface Tension: 71.1 dyne/cm; (18)Density: 1.533 g/cm3.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C/1NC(=O)N(\C=C\1)[C@@H]2O[C@@H](C[C@H]2O)CO
(2) InChI: InChI=1/C9H12N2O5/c12-4-5-3-6(13)8(16-5)11-2-1-7(14)10-9(11)15/h1-2,5-6,8,12-13H,3-4H2,(H,10,14,15)/t5-,6+,8+/m0/s1
(3) InChIKey: QOXJRLADYHZRGC-SHYZEUOFBZ