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| CAS No.: | 61135-33-9 |
|---|---|
| Name: | 5-ETHYNYL-2'-DEOXYURIDINE |
| Molecular Structure: | |
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| Formula: | C11H12N2O5 |
| Molecular Weight: | 252.227 |
| Synonyms: | 2'-Deoxy-5-ethynyluridine;5-Ethynyl-2'-deoxyuridine;5: PN: WO2006117161 FIGURE: 10 claimed sequence; |
| EINECS: | 500-100-4 |
| Density: | 1.55 g/cm3 |
| Melting Point: | 199°C(lit.) |
| Hazard Symbols: | T |
| Risk Codes: | 46-61 |
| Safety: | 53-45-24/25 |
| PSA: | 104.55000 |
| LogP: | -1.84140 |
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Specification
This chemical is called Uridine, 2'-deoxy-5-ethynyl-, and its systematic name is 5-Ethynyl-2'-deoxyuridine. With the molecular formula of C11H12N2O5, its molecular weight is 252.22. The CAS registry number of this chemical is 61135-33-9. Additionally, its classification code is Mutation Data.
Other characteristics of the Uridine, 2'-deoxy-5-ethynyl- can be summarised as followings: (1)ACD/LogP: -0.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.45; (4)ACD/LogD (pH 7.4): -0.82; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 13.49; (8)ACD/KOC (pH 7.4): 5.76; (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: 1.644; (14)Molar Refractivity: 58.89 cm3; (15)Molar Volume: 162.4 cm3; (16)Polarizability: 23.34×10-24cm3; (17)Surface Tension: 81.4 dyne/cm; (18)Density: 1.55 g/cm3.
You can still convert the following datas into molecular structure:
1.SMILES: C#C\C1=C\N(C(=O)NC1=O)[C@H]2C[C@H](O)[C@@H](CO)O2
2.InChI: InChI=1/C11H12N2O5/c1-2-6-4-13(11(17)12-10(6)16)9-3-7(15)8(5-14)18-9/h1,4,7-9,14-15H,3,5H2,(H,12,16,17)/t7-,8+,9+/m0/s1
3.InChIKey: CDEURGJCGCHYFH-DJLDLDEBBH