The 6-Benzylaminopurine riboside, with the CAS registry number 4294-16-0 and EINECS registry number 224-298-9, has the systematic name of N-benzyladenosine. It belongs to the following product categories: All Inhibitors; Bases & Related Reagents; Nucleotides; Inhibitors; Nucleosides; Oligonucleotide Synthesis; Specialty Synthesis. And the molecular formula of the chemical is C17H19N5O4. What's more, while dealing with this chemical, you should not breathe dust and then try to avoid contacting with skin and eyes.
The characteristics of 6-Benzylaminopurine riboside are as followings: (1)ACD/LogP: -0.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.47; (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): 13.13; (8)ACD/KOC (pH 7.4): 13.36; (9)#H bond acceptors: 9; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 83.76 Å2; (13)Index of Refraction: 1.762; (14)Molar Refractivity: 90.81 cm3; (15)Molar Volume: 220.1 cm3; (16)Polarizability: 36×10-24cm3; (17)Surface Tension: 71.8 dyne/cm; (18)Density: 1.62 g/cm3; (19)Flash Point: 370.7 °C; (20)Enthalpy of Vaporization: 106.11 kJ/mol; (21)Boiling Point: 689.3 °C at 760 mmHg; (22)Vapour Pressure: 6E-20 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: n3c1c(ncnc1NCc2ccccc2)n(c3)[C@@H]4O[C@@H]([C@@H](O)[C@H]4O)CO
(2)InChI: InChI=1/C17H19N5O4/c23-7-11-13(24)14(25)17(26-11)22-9-21-12-15(19-8-20-16(12)22)18-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-14,17,23-25H,6-7H2,(H,18,19,20)/t11-,13-,14-,17-/m1/s1
(3)InChIKey: MRPKNNSABYPGBF-LSCFUAHRBS
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