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| CAS No.: | 4594-45-0 |
|---|---|
| Name: | 6-CHLOROPURINE-2'-DEOXYRIBOSIDE |
| Article Data: | 13 |
| Molecular Structure: | |
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| Formula: | C10H11ClN4O3 |
| Molecular Weight: | 270.675 |
| Synonyms: | 6-Chloropurine2'-deoxy-b-D-ribofuranoside;6-Chloropurinedeoxyriboside;NSC 409824; |
| Density: | 1.88 g/cm3 |
| Boiling Point: | 568 °C at 760 mmHg |
| Flash Point: | 297.3 °C |
| Hazard Symbols: |
 T
|
| Risk Codes: | 23/24/25-36/37/38 |
| Safety: | 22-26-36-45 |
| PSA: | 93.29000 |
| LogP: | 0.12040 |
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- Total:34 Page 1 of 1 1
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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