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CAS No.: | 5399-87-1 |
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Name: | 6-Chloropurine riboside |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C10H11ClN4O4 |
Molecular Weight: | 286.675 |
Synonyms: | 6-Chloro-6-deaminoadenosine;6-Chloro-9-b-D-ribofuranosyl-9H-purine;6-Chloro-9-b-D-ribofuranosylpurine;6-Chloronebularine;6-Chloropurine 9-b-D-ribofuranoside;6-Chloropurine riboside;6-Chloropurine-D-riboside;6-Chloropurinosine;9-(b-D-Ribofuranosyl)-6-chloropurine;NSC 4910; |
EINECS: | 226-438-4 |
Density: | 2.03 g/cm3 |
Melting Point: | 158-162 °C (dec.)(lit.) |
Boiling Point: | 614.8 °C at 760 mmHg |
Flash Point: | 325.6 °C |
Solubility: | Soluble in water. (10.6 mg/mL) |
Appearance: | colourless crystalline powder |
Hazard Symbols: | Xi |
Safety: | 24/25 |
PSA: | 113.52000 |
LogP: | -0.90880 |
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The 9H-Purine, 6-chloro-9-b-D-ribofuranosyl-, with the CAS registry number 5399-87-1, is also known as 6-Chloropurine riboside. It belongs to the product categories of Bases & Related Reagents; Nucleotides. Its EINECS registry number is 217-904-8. This chemical's molecular formula is C10H11ClN4O4 and molecular weight is 286.046883. Its IUPAC name is called 2-(6-chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol. This chemical is colourless crystalline powder which can be used as substrate for adenosine deaminase. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes. You should avoid contacting it with skin and eyes.
Physical properties of 9H-Purine, 6-chloro-9-b-D-ribofuranosyl-: (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)Index of Refraction: 1.846; (13)Molar Refractivity: 62.64 cm3; (14)Molar Volume: 140.6 cm3; (15)Surface Tension: 90.9 dyne/cm; (16)Density: 2.03 g/cm3; (17)Flash Point: 325.6 °C; (18)Enthalpy of Vaporization: 95.91 kJ/mol; (19)Boiling Point: 614.8 °C at 760 mmHg; (20)Vapour Pressure: 5.65E-16 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=NC2=C(C(=N1)Cl)N=CN2C3C(C(C(O3)CO)O)O
(2)InChI: InChI=1S/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
(3)InChIKey: XHRJGHCQQPETRH-UHFFFAOYSA-N