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6-Chloropurine 2'-deoxyriboside

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Name

6-Chloropurine 2'-deoxyriboside

EINECS
CAS No. 4594-45-0 Density 1.88 g/cm3
Solubility Melting Point
Formula C10H11ClN4O3 Boiling Point 568 °C at 760 mmHg
Molecular Weight 270.67 Flash Point 297.3 °C
Transport Information Appearance
Safety 22-26-36-45 Risk Codes 23/24/25-36/37/38
Molecular Structure Molecular Structure of 4594-45-0 (9H-Purine, 6-chloro-9-(2-deoxy-b-D-erythro-pentofuranosyl)-) Hazard Symbols ToxicT
Synonyms

6-Chloropurine2'-deoxy-b-D-ribofuranoside;6-Chloropurinedeoxyriboside;NSC 409824;

 

6-Chloropurine 2'-deoxyriboside Specification

This chemical is called 9H-Purine, 6-chloro-9-(2-deoxy-b-D-erythro-pentofuranosyl)-, and its systematic name is 6-chloro-9-(2-deoxypentofuranosyl)-9H-purine. With the molecular formula of C10H11ClN4O3, its molecular weight is 270.67. The CAS registry number of this chemical is 4594-45-0. Additionally, this chemical should be stored at the temperature of -20°C.

Other characteristics of the 9H-Purine, 6-chloro-9-(2-deoxy-b-D-erythro-pentofuranosyl)- can be summarised as followings: (1)ACD/LogP: -0.08; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 7; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 71.29 Å2; (7)Index of Refraction: 1.808; (8)Molar Refractivity: 61.79 cm3; (9)Molar Volume: 143.4 cm3; (10)Polarizability: 24.49×10-24cm3; (11)Surface Tension: 79.9 dyne/cm; (12)Density: 1.88 g/cm3; (13)Flash Point: 297.3 °C; (14)Enthalpy of Vaporization: 89.69 kJ/mol; (15)Boiling Point: 568 °C at 760 mmHg; (16)Vapour Pressure: 9.72E-14 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. Do not breathe dust. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
1.SMILES: Clc3ncnc1c3ncn1C2OC(C(O)C2)CO
2.InChI: InChI=1/C10H11ClN4O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2
3.InChIKey: PGEULCIODBNODW-UHFFFAOYAB

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