ChemSpider 2D Image | 2-[3,4-Dihydroxy-2,5-bis(hydroxymethyl)tetrahydro-2-furanyl]-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl decanoate (non-preferred name) | C22H40O12

2-[3,4-Dihydroxy-2,5-bis(hydroxymethyl)tetrahydro-2-furanyl]-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl decanoate (non-preferred name)

  • Molecular FormulaC22H40O12
  • Average mass496.546 Da
  • Monoisotopic mass496.251984 Da
  • ChemSpider ID95639113

More details:

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

2-[3,4-Dihydroxy-2,5-bis(hydroxymethyl)tetrahydro-2-furanyl]-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl decanoate (non-preferred name) [ACD/IUPAC Name]
2-[3,4-Dihydroxy-2,5-bis(hydroxymethyl)tetrahydro-2-furanyl]-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl-decanoat (non-preferred name) [German] [ACD/IUPAC Name]
6-Undeculopyranose, 2,5-anhydro-5-C-(hydroxymethyl)-6-O-(1-oxodecyl)- [ACD/Index Name]
Décanoate de 2-[3,4-dihydroxy-2,5-bis(hydroxyméthyl)tétrahydro-2-furanyl]-3,4,5-trihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-2-yle (non-preferred name) [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: 708.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.5±6.0 kJ/mol
Flash Point: 235.8±26.4 °C
Index of Refraction: 1.583
Molar Refractivity: 117.3±0.4 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 4.87
ACD/LogD (pH 5.5): 3.08
ACD/BCF (pH 5.5): 128.44
ACD/KOC (pH 5.5): 1124.66
ACD/LogD (pH 7.4): 3.08
ACD/BCF (pH 7.4): 128.44
ACD/KOC (pH 7.4): 1124.64
Polar Surface Area: 207 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 75.1±5.0 dyne/cm
Molar Volume: 350.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement