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 octanoate (non-preferred name) | C20H36O12

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

  • Molecular FormulaC20H36O12
  • Average mass468.493 Da
  • Monoisotopic mass468.220673 Da
  • ChemSpider ID128912962

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 octanoate (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-octanoat (non-preferred name) [German] [ACD/IUPAC Name]
6-Undeculopyranose, 2,5-anhydro-5-C-(hydroxymethyl)-6-O-(1-oxooctyl)- [ACD/Index Name]
Octanoate 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: 1.5±0.1 g/cm3
Boiling Point: 697.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 116.7±6.0 kJ/mol
Flash Point: 237.0±25.0 °C
Index of Refraction: 1.593
Molar Refractivity: 108.1±0.4 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 3.81
ACD/LogD (pH 5.5): 2.15
ACD/BCF (pH 5.5): 25.21
ACD/KOC (pH 5.5): 350.63
ACD/LogD (pH 7.4): 2.15
ACD/BCF (pH 7.4): 25.21
ACD/KOC (pH 7.4): 350.63
Polar Surface Area: 207 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 79.9±5.0 dyne/cm
Molar Volume: 318.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement