ChemSpider 2D Image | 5-Chloro-3-hydroxy-7-methoxy-2H-1,4-benzoxazin-2-yl beta-D-glucopyranoside | C15H18ClNO9

5-Chloro-3-hydroxy-7-methoxy-2H-1,4-benzoxazin-2-yl β-D-glucopyranoside

  • Molecular FormulaC15H18ClNO9
  • Average mass391.758 Da
  • Monoisotopic mass391.067017 Da
  • ChemSpider ID59696438

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

5-Chlor-3-hydroxy-7-methoxy-2H-1,4-benzoxazin-2-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
5-Chloro-3-hydroxy-7-methoxy-2H-1,4-benzoxazin-2-yl β-D-glucopyranoside [ACD/IUPAC Name]
β-D-Glucopyranoside de 5-chloro-3-hydroxy-7-méthoxy-2H-1,4-benzoxazin-2-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 5-chloro-3-hydroxy-7-methoxy-2H-1,4-benzoxazin-2-yl [ACD/Index Name]
5-Chloro-2-hydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one β-D-glucopyranoside
5-chloro-7-methoxy-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1,4-benzoxazin-3-one

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.8±0.1 g/cm3
Boiling Point: 713.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.5±3.0 kJ/mol
Flash Point: 385.4±35.7 °C
Index of Refraction: 1.685
Molar Refractivity: 81.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -1.77
ACD/LogD (pH 5.5): -1.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.06
ACD/LogD (pH 7.4): -1.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 150 Å2
Polarizability: 32.2±0.5 10-24cm3
Surface Tension: 68.3±7.0 dyne/cm
Molar Volume: 214.0±7.0 cm3

Click to predict properties on the Chemicalize site


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