Basic information
- Name:
Uridine, 2-thio-
- CAS No.:
20235-78-3
- Molecular Structure:
- Formula:
- C9H12N2O5S
- Molecular Weight:
- 260.27
- Synonyms:
- 2-Thiouridine;
- Density:
- 1.72 g/cm3
- Melting Point:
- 216-218 °C
- Appearance:
- white solid
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Specification
The Uridine, 2-thio-, with the CAS registry number of 20235-78-3, is also known as 2-Thiouridine. It belongs to the product categories of Nucleotides and Nucleosides; Bases & Related Reagents; Nucleotides. This chemical's molecular formula is C9H12N2O5S and molecular weight is 260.27. What's more, its IUPAC name is 1-[(2R, 3R, 4S, 5R)-3, 4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-sulfanylidenepyrimidin-4-one.
Physical properties about Uridine, 2-thio- are: (1)ACD/LogP: -0.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.97; (4)ACD/LogD (pH 7.4): -1.52; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 6.94; (8)ACD/KOC (pH 7.4): 1.94; (9)#H bond acceptors: 7; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 92.56 Å2; (13)Index of Refraction: 1.732; (14)Molar Refractivity: 60.56 cm3; (15)Molar Volume: 151.3 cm3; (16)Surface Tension: 108.7 dyne/cm; (17)Density: 1.72 g/cm3.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C/1NC(=S)N(\C=C\1)[C@@H]2O[C@@H]([C@@H](O)[C@H]2O)CO
(2) InChI: InChI=1/C9H12N2O5S/c12-3-4-6(14)7(15)8(16-4)11-2-1-5(13)10-9(11)17/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,17)/t4-,6-,7-,8-/m1/s1
(3) InChIKey: GJTBSTBJLVYKAU-XVFCMESIBH