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Adenosine, 1-methyl-,hydriodide (1:1)

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Name

Adenosine, 1-methyl-,hydriodide (1:1)

EINECS N/A
CAS No. 34308-25-3 Density 1.88 g/cm3
PSA 129.36000 LogP -2.88650
Solubility N/A Melting Point N/A
Formula C11H16IN5O4 Boiling Point 655.4 °C at 760 mmHg
Molecular Weight 409.184 Flash Point 350.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 34308-25-3 (1-METHYLADENOSINE HYDROIODIDE) Hazard Symbols N/A
Synonyms

6-Amino-1-methyl-9-β-D-ribofuranosyl-9H-puriniumiodide (7CI);Adenosine, 1-methyl-, monohydriodide (9CI);1-Methyladenosinehydriodide;NSC 66391;

 

Adenosine, 1-methyl-,hydriodide (1:1) Specification

The Adenosine, 1-methyl-, hydriodide (1:1), with the CAS registry number of 34308-25-3, is also known as 1-Methyladenosine hydroiodide. This chemical's molecular formula is C11H16IN5O4 and molecular weight is 409.18. What's more, its IUPAC name is 2-(Hydroxymethyl)-5-(6-imino-1-methylpurin-9-yl)oxolane-3, 4-diol hydroiodide. Besides, it should be stored at -20 °C.

Physical properties about Adenosine, 1-methyl-, hydriodide (1:1) are: (1)ACD/LogP: -3.27; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 9; (4)#H bond donors: 4; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 82.7 Å2; (7)Index of Refraction: 1.823; (8)Molar Refractivity: 65.28 cm3; (9)Molar Volume: 149.4 cm3; (10)Surface Tension: 88.3 dyne/cm; (11)Density: 1.88 g/cm3; (12)Flash Point: 350.2 °C; (13)Enthalpy of Vaporization: 101.41 kJ/mol; (14)Boiling Point: 655.4 °C at 760 mmHg; (15)Vapour Pressure: 4.54E-18 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: n2c1c(\N=C/N(C1=[N@H])C)n(c2)C3OC(C(O)C3O)CO
(2) InChI: InChI=1/C11H15N5O4/c1-15-3-14-10-6(9(15)12)13-4-16(10)11-8(19)7(18)5(2-17)20-11/h3-5,7-8,11-12,17-19H,2H2,1H3/b12-9-
(3) InChIKey: GFYLSDSUCHVORB-XFXZXTDPBZ

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