CAS No.61135-33-9,5-ETHYNYL-2'-DEOXYURIDINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	61135-33-9
Name:	5-ETHYNYL-2'-DEOXYURIDINE
Article Data:	35

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

Raw Materials

54-42-2

50-89-5

Downstream Products

15176-29-1

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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