CAS No.849241-91-4,6-Chloro-9-(3-C-methyl-beta-D-ribofuranosyl)-9H-purine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	849241-91-4
Name:	6-Chloro-9-(3-C-methyl-beta-D-ribofuranosyl)-9H-purine

Formula:	C₁₁H₁₃ClN₄O₄
Molecular Weight:	300.70
Synonyms:	6-Chloro-9-(3-C-methyl-beta-D-ribofuranosyl)-9H-purine;
Density:	1.86 g/cm³
Boiling Point:	590.081 °C at 760 mmHg
Flash Point:	310.67 °C
PSA:	113.52000
LogP:	-0.51870

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Specification

The CAS registry number of 6-Chloro-9H-(3-C-methyl-β-D-ribofuranosyl)purine is 849241-91-4. This chemical is also named as 6-Chloro-9-(3-C-methyl-beta-D-ribofuranosyl)-9H-purine. In addition, its molecular formula is C₁₁H₁₃ClN₄O₄ and molecular weight is 300.70. Its systematic name is called 6-chloro-9-(2-C-methyl-β-D-ribofuranosyl)-9H-purine.

Physical properties about 6-Chloro-9H-(3-C-methyl-β-D-ribofuranosyl)purine are: (1)ACD/LogP: -0.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 3; (6)ACD/BCF (pH 7.4): 3; (7)ACD/KOC (pH 5.5): 84; (8)ACD/KOC (pH 7.4): 84; (9)#H bond acceptors: 8; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.779; (13)Molar Refractivity: 67.602 cm³; (14)Molar Volume: 161.285 cm³; (15)Surface Tension: 78.752 dyne/cm; (16)Density: 1.864 g/cm³; (17)Flash Point: 310.67 °C; (18)Enthalpy of Vaporization: 92.602 kJ/mol; (19)Boiling Point: 590.081 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc3ncnc1c3ncn1[C@@H]2O[C@@H]([C@@H](O)[C@]2(O)C)CO
(2)InChI: InChI=1/C11H13ClN4O4/c1-11(19)7(18)5(2-17)20-10(11)16-4-15-6-8(12)13-3-14-9(6)16/h3-5,7,10,17-19H,2H2,1H3/t5-,7-,10-,11-/m1/s1
(3)InChIKey: MOMRKSMRPOKFCN-YRKGHMEHBQ