9H-Purine, 6-methyl-9-b-D-ribofuranosyl- supplier

Name
6-METHYLPURINE RIBOSIDE
EINECS
CAS No. 14675-48-0
Article Data1
CAS DataBase
Density 1.81 g/cm³
Solubility
Melting Point 209-210 °C
Formula C₁₁H₁₄N₄O₄
Boiling Point 590.4 °C at 760 mmHg
Molecular Weight 266.257
Flash Point 310.9 °C
Transport Information
Appearance
Safety 36/37/39-45
Risk Codes 23/24/25
Molecular Structure
Hazard Symbols T
Synonyms 6-Methyl-9-b-D-ribofuranosylpurine;6-Methylpurine ribonucleoside;6-Methylpurine-9-b-D-ribofuranoside;NSC 101619;6-Methyl-9-(b-D-ribofuranosyl)-9H-purine;
PSA 113.52000
LogP -1.25380

9H-Purine, 6-methyl-9-b-D-ribofuranosyl- Specification

The 9H-Purine, 6-methyl-9-b-D-ribofuranosyl-, with the CAS registry number 14675-48-0, is also known as 6-Methylpurine ribonucleoside. This chemical's molecular formula is C₁₁H₁₄N₄O₄ and molecular weight is 266.25. What's more, its systematic name is 6-Methyl-9-(b-D-ribofuranosyl)-9H-purine.

Physical properties of 9H-Purine, 6-methyl-9-b-D-ribofuranosyl- are: (1)ACD/LogP: -0.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.91; (4)ACD/LogD (pH 7.4): -0.91; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 7.59; (8)ACD/KOC (pH 7.4): 7.6; (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: 1.796; (14)Molar Refractivity: 62.46 cm³; (15)Molar Volume: 146.6 cm³; (16)Polarizability: 24.76×10^-24cm³; (17)Surface Tension: 78.7 dyne/cm; (18)Density: 1.81 g/cm³; (19)Flash Point: 310.9 °C; (20)Enthalpy of Vaporization: 92.65 kJ/mol; (21)Boiling Point: 590.4 °C at 760 mmHg; (22)Vapour Pressure: 8.74E-15 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)CO)O)O
(2)InChI: InChI=1S/C11H14N4O4/c1-5-7-10(13-3-12-5)15(4-14-7)11-9(18)8(17)6(2-16)19-11/h3-4,6,8-9,11,16-18H,2H2,1H3/t6-,8-,9-,11-/m1/s1
(3)InChIKey: FIGBCBGMUIGJBD-PNHWDRBUSA-N

Product Name

6-METHYLPURINE RIBOSIDE

9H-Purine, 6-methyl-9-b-D-ribofuranosyl- Specification

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