Basic information
- Name:
2-Chloroadenosine
- CAS No.:
146-77-0
- Molecular Structure:
- Formula:
- C10H12ClN5O4
- Molecular Weight:
- 301.69 .
- Synonyms:
- Cl-Ado;6-Amino-2-chloropurine riboside;(2R,3R,4R,5R)-2-(6-amino-2-chloro-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;4-26-00-03725 (Beilstein Handbook Reference);2-(6-amino-2-chloro-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;Antibiotic AT 265B;Adenosine,2-chloro-;2-Chloroadenosinehemihydrate;
- EINECS:
- 205-678-3
- Density:
- 2.19 g/cm3
- Melting Point:
- 162 °C
- Boiling Point:
- 591.8 °C at 760 mmHg
- Flash Point:
- 311.7 °C
- Solubility:
- 10 mg/mL in water
- Appearance:
- white to off-white crystalline solid
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Specification
The 2-Chloroadenosine, with the CAS registry number 146-77-0 and EINECS registry number 205-678-3, has the systematic name of 1,2,3,5-tetra-O-acetyl-β-L-ribofuranose. It is a kind of white to off-white crystalline solid, and belongs to the following product categories: Miscellaneous Biochemicals; 13C & 2H Sugars; Biochemistry; Nucleosides and their analogs; Nucleosides, Nucleotides & Related Reagents; Bases & Related Reagents; Carbohydrates & Derivatives; Heterocycles; Nucleotides; Adenosine receptor; Adenosine. And the molecular formula of the chemical is C10H12ClN5O4. Besides, it is always used as selective A1-adenosine receptor agonist which can induce apoptosis.
The physical properties of 2-Chloroadenosine are as followings: (1)ACD/LogP: -0.46; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -0.46; (4)ACD/LogD (pH 7.4): -0.46; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 13.4; (8)ACD/KOC (pH 7.4): 13.4; (9)#H bond acceptors: 9; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 83.76 Å2; (13)Index of Refraction: 1.912; (14)Molar Refractivity: 64.55 cm3; (15)Molar Volume: 137.4 cm3; (16)Polarizability: 25.59×10-24cm3; (17)Surface Tension: 106.5 dyne/cm; (18)Density: 2.19 g/cm3; (19)Flash Point: 311.7 °C; (20)Enthalpy of Vaporization: 92.84 kJ/mol; (21)Boiling Point: 591.8 °C at 760 mmHg; (22)Vapour Pressure: 7.47E-15 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1nc(c2ncn(c2n1)[C@@H]3O[C@@H]([C@@H](O)[C@H]3O)CO)N
(2)InChI: InChI=1/C10H12ClN5O4/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: BIXYYZIIJIXVFW-UUOKFMHZBQ
