ChemSpider 2D Image | 2-Hydroxy-5-(3-oxobutyl)phenyl alpha-D-mannopyranoside | C16H22O8

2-Hydroxy-5-(3-oxobutyl)phenyl α-D-mannopyranoside

  • Molecular FormulaC16H22O8
  • Average mass342.341 Da
  • Monoisotopic mass342.131470 Da
  • ChemSpider ID113610760

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2-Butanone, 4-[4-hydroxy-3-(α-D-mannopyranosyloxy)phenyl]- [ACD/Index Name]
2-Hydroxy-5-(3-oxobutyl)phenyl α-D-mannopyranoside [ACD/IUPAC Name]
2-Hydroxy-5-(3-oxobutyl)phenyl-α-D-mannopyranosid [German] [ACD/IUPAC Name]
α-D-Mannopyranoside de 2-hydroxy-5-(3-oxobutyl)phényle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 600.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.0±3.0 kJ/mol
Flash Point: 220.0±25.0 °C
Index of Refraction: 1.612
Molar Refractivity: 82.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -2.16
ACD/LogD (pH 5.5): -1.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.78
ACD/LogD (pH 7.4): -1.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.74
Polar Surface Area: 137 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 64.2±3.0 dyne/cm
Molar Volume: 237.9±3.0 cm3

Click to predict properties on the Chemicalize site


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