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6698-26-6

Basic Information
CAS No.: 6698-26-6
Name: 2',5'-DIDEOXYADENOSINE
Article Data: 3
Molecular Structure:
Molecular Structure of 6698-26-6 (2',5'-DIDEOXYADENOSINE)
Formula: C10H13N5O2
Molecular Weight: 235.246
Synonyms: NSC 95943;2',5'-Dideoxyadenosine;
Density: 1.77 g/cm3
Boiling Point: 547 °C at 760 mmHg
Flash Point: 284.6 °C
Solubility: DMSO: soluble
Appearance: White Solid
PSA: 99.08000
LogP: 0.65800
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Specification

The Adenosine,2',5'-dideoxy-, with the CAS registry number 6698-26-6, is also known as 2',5'-Dideoxyadenosine. It belongs to the product categories of Adenylate cyclaseG Proteins and Cyclic Nucleotides; Adenylyl Cyclase Inhibitors; A to; Cyclic Nucleotide Metabolism; Enzyme Inhibitors by Enzyme. This chemical's molecular formula is C10H13N5O2 and molecular weight is 235.24. What's more, its IUPAC name is 5-(6-Aminopurin-9-yl)-2-methyloxolan-3-ol. It should be stored at the temperature of 0-6 °C.

Physical properties of Adenosine,2',5'-dideoxy- are: (1)ACD/LogP: -0.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.48; (4)ACD/LogD (pH 7.4): -0.48; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 12.94; (8)ACD/KOC (pH 7.4): 13.12; (9)#H bond acceptors: 7; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 65.3 Å2; (13)Index of Refraction: 1.825; (14)Molar Refractivity: 58.06 cm3; (15)Molar Volume: 132.7 cm3; (16)Polarizability: 23.02×10-24 cm3; (17)Surface Tension: 77.6 dyne/cm; (18)Density: 1.77 g/cm3; (19)Flash Point: 284.6 °C; (20)Enthalpy of Vaporization: 86.94 kJ/mol; (21)Boiling Point: 547 °C at 760 mmHg; (22)Vapour Pressure: 8.5E-13 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1C(CC(O1)N2C=NC3=C2N=CN=C3N)O
(2)InChI: InChI=1S/C10H13N5O2/c1-5-6(16)2-7(17-5)15-4-14-8-9(11)12-3-13-10(8)15/h3-7,16H,2H2,1H3,(H2,11,12,13)
(3)InChIKey: FFHPXOJTVQDVMO-UHFFFAOYSA-N