ChemSpider 2D Image | {4-[2-(alpha-D-Mannopyranosyloxy)-3-(1-naphthyloxy)propoxy]phenyl}acetic acid | C27H30O10

{4-[2-(α-D-Mannopyranosyloxy)-3-(1-naphthyloxy)propoxy]phenyl}acetic acid

  • Molecular FormulaC27H30O10
  • Average mass514.521 Da
  • Monoisotopic mass514.183899 Da
  • ChemSpider ID59002079

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

{4-[2-(α-D-Mannopyranosyloxy)-3-(1-naphthyloxy)propoxy]phenyl}acetic acid [ACD/IUPAC Name]
{4-[2-(α-D-Mannopyranosyloxy)-3-(1-naphthyloxy)propoxy]phenyl}essigsäure [German] [ACD/IUPAC Name]
Acide {4-[2-(α-D-mannopyranosyloxy)-3-(1-naphtyloxy)propoxy]phényl}acétique [French] [ACD/IUPAC Name]
Benzeneacetic acid, 4-[2-(α-D-mannopyranosyloxy)-3-(1-naphthalenyloxy)propoxy]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 798.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 121.8±3.0 kJ/mol
Flash Point: 267.9±26.4 °C
Index of Refraction: 1.671
Molar Refractivity: 132.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 1.69
ACD/LogD (pH 5.5): 0.73
ACD/BCF (pH 5.5): 1.13
ACD/KOC (pH 5.5): 18.19
ACD/LogD (pH 7.4): -1.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 155 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 77.4±5.0 dyne/cm
Molar Volume: 354.5±5.0 cm3

Click to predict properties on the Chemicalize site


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