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N6-Methyladenosine

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Name

N6-Methyladenosine

EINECS
CAS No. 1867-73-8 Density 1.85 g/cm3
Solubility Melting Point
Formula C11H15N5O5 Boiling Point 649.1 °C at 760 mmHg
Molecular Weight 297.2673 Flash Point 346.3 °C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 1867-73-8 (Adenosine, N-methyl-) Hazard Symbols
Synonyms

6-Methyladenosine;6-Methylamino-9-b-D-ribofuranosylpurine;6-Methylaminopurine D-riboside;6-Methylaminopurine ribonucleoside;6-Methylaminopurineriboside;9-b-D-Ribofuranosyl-N6-methylaminopurine;N-Methyladenosine;N6-Methyladenosine;NSC 29409;

 

N6-Methyladenosine Specification

The Adenosine, N-methyl-, with the CAS registry number 1867-73-8, is also known as 6-Methylaminopurine D-riboside. This chemical's molecular formula is C11H15N5O5 and molecular weight is 297.2673. Its IUPAC name is called (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(methylamino)purin-9-yl]oxolane-3,4-diol.

Physical properties of Adenosine, N-methyl-: (1)ACD/LogP: -2.00; (2)ACD/LogD (pH 5.5): -2.01; (3)ACD/LogD (pH 7.4): -2; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.91; (7)ACD/KOC (pH 7.4): 1.96; (8)#H bond acceptors: 9; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 5; (11)Index of Refraction: 1.814; (12)Molar Refractivity: 65.52 cm3; (13)Molar Volume: 151.3 cm3; (14)Surface Tension: 82.8 dyne/cm; (15)Density: 1.85 g/cm3; (16)Flash Point: 346.3 °C; (17)Enthalpy of Vaporization: 100.55 kJ/mol; (18)Boiling Point: 649.1 °C at 760 mmHg; (19)Vapour Pressure: 9.86E-18 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CNC1=NC=NC2=C1N=CN2C3C(C(C(O3)CO)O)O
(2)Isomeric SMILES: CNC1=NC=NC2=C1N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
(3)InChI: InChI=1S/C11H15N5O4/c1-12-9-6-10(14-3-13-9)16(4-15-6)11-8(19)7(18)5(2-17)20-11/h3-5,7-8,11,17-19H,2H2,1H3,(H,12,13,14)/t5-,7-,8-,11-/m1/s1
(4)InChIKey: VQAYFKKCNSOZKM-IOSLPCCCSA-N

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