Product Name

  • Name

    4-(2-nitroethyl)phenyl hexopyranoside

  • EINECS
  • CAS No. 74213-96-0
  • Article Data4
  • CAS DataBase
  • Density 1.482 g/cm3
  • Solubility
  • Melting Point
  • Formula C14H19NO8
  • Boiling Point 598.1 °C at 760 mmHg
  • Molecular Weight 329.307
  • Flash Point 315.5 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 74213-96-0 (4-(2-nitroethyl)phenyl hexopyranoside)
  • Hazard Symbols
  • Synonyms NSC300533;Thalictoside;4-(2-Nitroethyl)phenyl hexopyranoside;
  • PSA
  • LogP

b-D-Glucopyranoside,4-(2-nitroethyl)phenyl Specification

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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