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| CAS No.: | 2002-35-9 |
|---|---|
| Name: | N6-Methyl-2'-deoxy-adenosine |
| Molecular Structure: | |
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| Formula: | C11H15N5O3 |
| Molecular Weight: | 265.272 |
| Synonyms: | 2'-Deoxy-N6-methyladenosine;6-(Methylamino)purine deoxyriboside;N6-Methyl-2'-deoxyadenosine;N6-Methyldeoxyadenosine; |
| Density: | 1.72 g/cm3 |
| Boiling Point: | 603.6 °C at 760 mmHg |
| Flash Point: | 318.8 °C |
| Solubility: | Soluble in water |
| PSA: | 105.32000 |
| LogP: | -0.41830 |
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Specification
The CAS register number of N6-Methyl-2'-deoxy-adenosine is 2002-35-9. It also can be called as N(6)-Methyl-2'-deoxyadenosine and the IUPAC name about this chemical is (2R,3S,5R)-2-(hydroxymethyl)-5-[6-(methylamino)purin-9-yl]oxolan-3-ol. The molecular formula about this chemical is C11H15N5O3 and the molecular weight is 265.27. It belongs to the following product categories which include Biochemicals and Reagents; Nucleoside Analogs; Nucleosides, Nucleotides, Oligonucleotides and so on.
Physical properties about N6-Methyl-2'-deoxy-adenosine are: (1)ACD/LogP: -1.52; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 22.7; (5)ACD/KOC (pH 7.4): 23.32; (6)#H bond acceptors: 8; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 74.53Å2; (10)Index of Refraction: 1.78; (11)Molar Refractivity: 64.67 cm3; (12)Molar Volume: 154 cm3; (13)Polarizability: 25.63x10-24cm3; (14)Surface Tension: 73.3 dyne/cm; (15)Enthalpy of Vaporization: 94.4 kJ/mol; (16)Boiling Point: 603.6 °C at 760 mmHg; (17)Vapour Pressure: 2.03E-15 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: n2c1c(ncnc1n(c2)[C@@H]3O[C@@H]([C@@H](O)C3)CO)NC
(2)InChI: InChI=1/C11H15N5O3/c1-12-10-9-11(14-4-13-10)16(5-15-9)8-2-6(18)7(3-17)19-8/h4-8,17-18H,2-3H2,1H3,(H,12,13,14)/t6-,7+,8+/m0/s1
(3)InChIKey: DYSDOYRQWBDGQQ-XLPZGREQBE
(4)Std. InChI: InChI=1S/C11H15N5O3/c1-12-10-9-11(14-4-13-10)16(5-15-9)8-2-6(18)7(3-17)19-8/h4-8,17-18H,2-3H2,1H3,(H,12,13,14)/t6-,7+,8+/m0/s1
(5)Std. InChIKey: DYSDOYRQWBDGQQ-XLPZGREQSA-N