The b-D-Glucopyranoside,4-(2-nitroethyl)phenyl, with the CAS registry number 74213-96-0, is also known as 4-(2-Nitroethyl)phenyl hexopyranoside and Thalictoside. This chemical's molecular formula is C14H19NO8 and molecular weight is 329.3026. What's more, its IUPAC name is 2-(Hydroxymethyl)-6-[4-(2-nitroethyl)phenoxy]oxane-3,4,5-triol.
Physical properties about b-D-Glucopyranoside,4-(2-nitroethyl)phenyl are: (1) ACD/LogP: -0.81; (2) # of Rule of 5 Violations: 0; (3) #H bond acceptors: 9; (4) #H bond donors: 4; (5) #Freely Rotating Bonds: 10; (6) Polar Surface Area: 101.2 Å2; (7) Index of Refraction: 1.615; (8) Molar Refractivity: 77.53 cm3; (9) Molar Volume: 222.1 cm3; (10) Polarizability: 30.73×10-24 cm3; (11) Surface Tension: 65.6 dyne/cm; (12) Density: 1.482 g/cm3; (13) Flash Point: 315.5 °C; (14) Enthalpy of Vaporization: 93.66 kJ/mol; (15) Boiling Point: 598.1 °C at 760 mmHg; (16) Vapour Pressure: 3.75E-15 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)CCc2ccc(OC1OC(C(O)C(O)C1O)CO)cc2
(2) InChI: InChI=1/C14H19NO8/c16-7-10-11(17)12(18)13(19)14(23-10)22-9-3-1-8(2-4-9)5-6-15(20)21/h1-4,10-14,16-19H,5-7H2
(3) InChIKey: JRSACOBIDKCJGV-UHFFFAOYAD
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