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6-Chloropurine Riboside

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Name

6-Chloropurine Riboside

EINECS 217-904-8
CAS No. 2004-06-0 Density 2.03 g/cm3
Solubility Melting Point 158-162 °C (dec.)(lit.)
Formula C10H11ClN4O4 Boiling Point 614.8 °C at 760 mmHg
Molecular Weight 286.67 Flash Point 325.6 °C
Transport Information Appearance white to light yellow crystal powder
Safety 22-24/25-36-26 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 2004-06-0 (9H-Purine,6-chloro-9-ribofuranosyl-) Hazard Symbols IrritantXi
Synonyms

6-Chloropurineribonucleoside;6-chloro-9-(β-D-ribofuranosyl)-9H-purine;(2R,3R,4S,5R)-2-(6-Chloro-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydro-3,4-furandiol;6-Chloro-9-(β-D-ribofuranosyl)-9H-purine;9H-purine, 6-chloro-9-(β-d-ribofuranosyl)-;

 

6-Chloropurine Riboside Consensus Reports

6-CHLOROPURINE Riboside is reported in EPA TSCA Inventory.

6-Chloropurine Riboside Specification

The 6-Chloropurine Riboside, with the CAS registry number 2004-06-0 and EINECS registry number 217-904-8, has the systematic name of 6-chloro-9-(β-D-ribofuranosyl)-9H-purine. It is a kind of white to light yellow crystal powder, and belongs to the following product categories: Chiral; Biochemistry; Nucleosides and their analogs; Nucleosides, Nucleotides & Related Reagents. The molecular formula of the chemical is C10H11ClN4O4. It is always used in biochemical research. What's more, it should be stored at 2-8°C. 

The physical properties of 6-Chloropurine Riboside are as followings: (1)ACD/LogP: -0.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.56; (4)ACD/LogD (pH 7.4): -0.56; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 11.78; (8)ACD/KOC (pH 7.4): 11.78; (9)#H bond acceptors: 8; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 80.52 Å2; (13)Index of Refraction: 1.846; (14)Molar Refractivity: 62.64 cm3; (15)Molar Volume: 140.6 cm3; (16)Polarizability: 24.83×10-24cm3; (17)Surface Tension: 90.9 dyne/cm; (18)Density: 2.03 g/cm3; (19)Flash Point: 325.6 °C; (20)Enthalpy of Vaporization: 95.91 kJ/mol; (21)Boiling Point: 614.8 °C at 760 mmHg; (22)Vapour Pressure: 5.65E-16 mmHg at 25°C.  

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Do not breathe dust and avoid contacting with skin and eyes; Wear suitable clothing, and 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: Clc3ncnc1c3ncn1[C@@H]2O[C@@H]([C@@H](O)[C@H]2O)CO
(2)InChI: InChI=1/C10H11ClN4O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2/t4-,6-,7-,10-/m1/s1
(3)InChIKey: XHRJGHCQQPETRH-KQYNXXCUBM

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 unreported 550mg/kg (550mg/kg)   Progress in Medical Chemistry. Vol. 7, Pg. 69, 1970.
rat LD50 intraperitoneal > 800mg/kg (800mg/kg)   Advances in Teratology. Vol. 3, Pg. 181, 1968.

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