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Name |
Guanosine, 8-bromo-,2',3',5'-triacetate |
EINECS | 239-810-6 |
CAS No. | 15717-45-0 | Density | 1.94 g/cm3 |
PSA | 177.72000 | LogP | 0.36940 |
Solubility | N/A | Melting Point |
215-218 °C |
Formula | C16H18BrN5O8 | Boiling Point | 673.5 °C at 760 mmHg |
Molecular Weight | 488.252 | Flash Point | 361.1 °C |
Transport Information | N/A | Appearance | yellow solid |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2',3',5'-Tri-O-acetyl-8-bromoguanosine;8-Bromo-2',3',5'-tri-O-acetylguanosine;8-Bromoguanosine 2',3',5'-triacetate;NSC 174056;NSC 79210; |
Article Data | 13 |
The Guanosine, 8-bromo-, 2', 3', 5'-triacetate, with the CAS registry number 15717-45-0, is also known as 2', 3', 5'-Tri-O-acetyl-8-bromoguanosine. This chemical's molecular formula is C16H18BrN5O8 and molecular weight is 488.25. What's more, its IUPAC name is [(2R, 3R, 4R, 5R)-3, 4-Diacetyloxy-5-(2-amino-8-bromo-6-oxo-3H-purin-9-yl)oxolan-2-yl]methyl acetate. In addition, it must be stored at -20 °C.
Physical properties about Guanosine, 8-bromo-, 2', 3', 5'-triacetate are: (1)ACD/LogP: 1.31; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 1.31; (4)ACD/LogD (pH 7.4): 1.31; (5)ACD/BCF (pH 5.5): 5.86; (6)ACD/BCF (pH 7.4): 5.86; (7)ACD/KOC (pH 5.5): 123.34; (8)ACD/KOC (pH 7.4): 123.36; (9)#H bond acceptors: 13; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 141.86 Å2; (13)Index of Refraction: 1.723; (14)Molar Refractivity: 99.63 cm3; (15)Molar Volume: 251.2 cm3; (16)Polarizability: 39.49×10-24 cm3; (17)Surface Tension: 70.7 dyne/cm; (18)Density: 1.94 g/cm3; (19)Flash Point: 361.1 °C; (20)Enthalpy of Vaporization: 98.93 kJ/mol; (21)Boiling Point: 673.5 °C at 760 mmHg; (22)Vapour Pressure: 5.3E-18 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C3/N=C(/N)Nc1c3nc(Br)n1[C@@H]2O[C@@H]([C@@H](OC(=O)C)[C@H]2OC(=O)C)COC(=O)C
(2) InChI: InChI=1/C16H18BrN5O8/c1-5(23)27-4-8-10(28-6(2)24)11(29-7(3)25)14(30-8)22-12-9(19-15(22)17)13(26)21-16(18)20-12/h8,10-11,14H,4H2,1-3H3,(H3,18,20,21,26)/t8-,10-,11-,14-/m1/s1
(3) InChIKey: JLZCAXCVNVVXJL-IDTAVKCVBT