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2-Iodoadenosine

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Name

2-Iodoadenosine

EINECS 623-798-8
CAS No. 35109-88-7 Density 2.69 g/cm3
PSA 139.54000 LogP -0.79420
Solubility N/A Melting Point 202-203 °C
Formula C10H12IN5O4 Boiling Point 776.26 °C at 760 mmHg
Molecular Weight 393.141 Flash Point 423.267 °C
Transport Information N/A Appearance Off-white crystalline solid
Safety 26 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 35109-88-7 (2-IODOADENOSINE) Hazard Symbols IrritantXi
Synonyms

2-Iodo-D-adenosine;

Article Data 23

2-Iodoadenosine Specification

The Adenosine, 2-iodo-, with the CAS registry number of 35109-88-7, is also known as 2-Iodoadenosine and 2-Iodo-D-adenosine. It belongs to the product categories of Nucleotides and Nucleosides; Bases & Related Reagents; Nucleotides; Nucleosides; Oligonucleotide Synthesis; Specialty Synthesis. This chemical's molecular formula is C10H12IN5O4 and molecular weight is 393.14. What's more, its IUPAC name is (2R, 3R, 4S, 5R)-2-(6-Amino-2-iodopurin-9-yl)-5-(hydroxymethyl)oxolane-3, 4-diol.

Physical properties about Adenosine, 2-iodo- are: (1)ACD/LogP: -1.04; (2)# of Rule of 5 Violations: 1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 6.5; (6)ACD/KOC (pH 7.4): 6.5; (7)#H bond acceptors: 9; (8)#H bond donors: 5; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 83.76 Å2; (11)Index of Refraction: 1.994; (12)Molar Refractivity: 72.61 cm3; (13)Molar Volume: 145.7 cm3; (14)Polarizability: 28.78×10-24 cm3; (15)Surface Tension: 113.2 dyne/cm; (16)Density: 2.69 g/cm3; (17)Flash Point: 423.3 °C; (18)Enthalpy of Vaporization: 118.51 kJ/mol; (19)Boiling Point: 776.3 °C at 760 mmHg; (20)Vapour Pressure: 2.32E-25 mmHg at 25 °C; (21) Melting Point: 202-203 °C.

Uses: it can be used as the intermediate in the synthesis of Isoguanosine (Crotonoside or 2-Hydroxyadenosine). And it is a naturally occuring Nucleoside analogue of Guanosine.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: Ic1nc(c2ncn(c2n1)[C@@H]3O[C@@H]([C@@H](O)[C@H]3O)CO)N
(2) InChI: InChI=1/C10H12IN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6-,9-/m1/s1
(3) InChIKey: MGEBVSZZNFOIRB-UUOKFMHZBZ

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