ChemSpider 2D Image | MFCD00037662 | C18H17NO8

MFCD00037662

  • Molecular FormulaC18H17NO8
  • Average mass375.329 Da
  • Monoisotopic mass375.095428 Da
  • ChemSpider ID21171644

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

101490-85-1 [RN]
3H-Phenoxazin-3-one, 7-(β-D-glucopyranosyloxy)- [ACD/Index Name]
3-Oxo-3H-phenoxazin-7-yl β-D-glucopyranoside [ACD/IUPAC Name]
3-Oxo-3H-phenoxazin-7-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
3-Phenoxazone 7-(β-D-glucopyranoside)
MFCD00037662
RESORUFIN B-D-GLUCOPYRANOSIDE
Resorufin β-D-glucopyranoside
β-D-Glucopyranoside de 3-oxo-3H-phénoxazin-7-yle [French] [ACD/IUPAC Name]
3H-Phenoxazin-3-one,7-(b-D-glucopyranosyloxy)-
More...

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

4335306 [DBID]
R4758_SIGMA [DBID]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 651.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.9±3.0 kJ/mol
Flash Point: 347.9±31.5 °C
Index of Refraction: 1.724
Molar Refractivity: 86.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.31
ACD/LogD (pH 5.5): -0.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.68
ACD/LogD (pH 7.4): -0.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.68
Polar Surface Area: 138 Å2
Polarizability: 34.4±0.5 10-24cm3
Surface Tension: 71.3±7.0 dyne/cm
Molar Volume: 218.8±7.0 cm3

Click to predict properties on the Chemicalize site


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