Guanosine, N-benzoyl- (3676-72-0)

The N2-Benzoyl-D-guanosine, with the cas registry number 3676-72-0, has the systematic name of N-(phenylcarbonyl)guanosine. It is a kind of off-white solid, and belongs to the following product categories: Bases; Related Reagents; Nucleotides. And the molecular formula of the chemical is C₁₇H₁₇N₅O₆.

The characteristics of this chemical are as followings: (1)ACD/LogP: -1.72; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -1.73; (4)ACD/LogD (pH 7.4): -2.06; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.71; (8)ACD/KOC (pH 7.4): 1.27; (9)#H bond acceptors: 11; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 107.72 Å²; (13)Index of Refraction: 1.809; (14)Molar Refractivity: 92.51 cm³; (15)Molar Volume: 214.6 cm³; (16)Polarizability: 36.67×10^-24cm³; (17)Surface Tension: 85.2 dyne/cm; (18)Density: 1.8 g/cm³.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(c1ccccc1)N/C3=N/C(=O)c2ncn(c2N3)[C@@H]4O[C@@H]([C@@H](O)[C@H]4O)CO
(2)InChI: InChI=1/C17H17N5O6/c23-6-9-11(24)12(25)16(28-9)22-7-18-10-13(22)19-17(21-15(10)27)20-14(26)8-4-2-1-3-5-8/h1-5,7,9,11-12,16,23-25H,6H2,(H2,19,20,21,26,27)/t9-,11-,12-,16-/m1/s1
(3)InChIKey: WZKJANWNNBJHRS-UBEDBUPSBV