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80791-87-3

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Basic Information
CAS No.: 80791-87-3
Name: 2-Amino-2'-O-methyladenosine
Article Data: 5
Molecular Structure:
Molecular Structure of 80791-87-3 (2-Amino-2'-O-methyladenosine)
Formula: C11H16N6O4
Molecular Weight: 296.286
Synonyms: 2'-O-Methyl-2,6-diaminopurineriboside;
Density: 1.983 g/cm3
Melting Point: 121-122℃
Boiling Point: 733.177 °C at 760 mmHg
Flash Point: 397.211 °C
PSA: 154.56000
LogP: -0.58130
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Specification

The 2-Amino-2'-O-methyladenosine, with the CAS registry number 80791-87-3, is also known as 2-Amino-2'-O-methyl-adenosine. This chemical's molecular formula is C11H16N6O4 and molecular weight is 296.2825. What's more, its systematic name is 2-Amino-2'-O-methyladenosine.

Physical properties about 2-Amino-2'-O-methyladenosine are: (1)ACD/LogP: -0.36; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 12; (8)ACD/KOC (pH 7.4): 18; (9)#H bond acceptors: 10; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 154.56 Å2; (13)Index of Refraction: 1.852; (14)Molar Refractivity: 66.835 cm3; (15)Molar Volume: 149.375 cm3; (16)Polarizability: 26.495×10-24cm3; (17)Surface Tension: 93.552 dyne/cm; (18)Density: 1.983 g/cm3; (19)Flash Point: 397.211 °C; (20) Enthalpy of Vaporization: 112.302 kJ/mol; (21)Boiling Point: 733.177 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: n2c1c(nc(nc1n(c2)[C@@H]3O[C@@H]([C@@H](O)[C@H]3OC)CO)N)N
(2) InChI: InChI=1/C11H16N6O4/c1-20-7-6(19)4(2-18)21-10(7)17-3-14-5-8(12)15-11(13)16-9(5)17/h3-4,6-7,10,18-19H,2H2,1H3,(H4,12,13,15,16)/t4-,6-,7-,10-/m1/s1
(3) InChIKey: JLWUWXCKSOIFPS-KQYNXXCUBQ