ChemSpider 2D Image | 4-Hydroxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl hexopyranoside | C14H17NO9

4-Hydroxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl hexopyranoside

  • Molecular FormulaC14H17NO9
  • Average mass343.286 Da
  • Monoisotopic mass343.090332 Da
  • ChemSpider ID74886401

More details:

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

2H-1,4-Benzoxazin-3(4H)-one, 2-(hexopyranosyloxy)-4-hydroxy- [ACD/Index Name]
4-Hydroxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl hexopyranoside [ACD/IUPAC Name]
4-Hydroxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylhexopyranosid [German] [ACD/IUPAC Name]
Hexopyranoside de 4-hydroxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yle [French] [ACD/IUPAC Name]
(2R)-4-Hydroxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl β-D-glucopyranoside [ACD/IUPAC Name]
2,4-Dihydroxy-1,4-benzoxazin-3-one glucoside
4-hydroxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H-1,4-benzoxazin-3-one
4-hydroxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1,4-benzoxazin-3-one
C15772
DIBOA-Glc
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

Density: 1.8±0.1 g/cm3
Boiling Point: 639.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.2±3.0 kJ/mol
Flash Point: 340.5±34.3 °C
Index of Refraction: 1.708
Molar Refractivity: 76.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: -3.00
ACD/LogD (pH 5.5): -2.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.24
ACD/LogD (pH 7.4): -2.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 149 Å2
Polarizability: 30.3±0.5 10-24cm3
Surface Tension: 105.5±5.0 dyne/cm
Molar Volume: 196.2±5.0 cm3

Click to predict properties on the Chemicalize site


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