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5-Ethynyl-2-deoxyuridine

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Name

5-Ethynyl-2-deoxyuridine

EINECS 500-100-4
CAS No. 61135-33-9 Density 1.55 g/cm3
PSA 104.55000 LogP -1.84140
Solubility N/A Melting Point 199°C(lit.)
Formula C11H12N2O5 Boiling Point N/A
Molecular Weight 252.227 Flash Point N/A
Transport Information N/A Appearance N/A
Safety 53-45-24/25 Risk Codes 46-61
Molecular Structure Molecular Structure of 61135-33-9 (5-ETHYNYL-2'-DEOXYURIDINE) Hazard Symbols T
Synonyms

2'-Deoxy-5-ethynyluridine;5-Ethynyl-2'-deoxyuridine;5: PN: WO2006117161 FIGURE: 10 claimed sequence;

Article Data 35

5-Ethynyl-2-deoxyuridine 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

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