ChemSpider 2D Image | (1S)-1-[4-(Allyloxy)-3-formyl-2-hydroxyphenyl]-1,5-anhydro-2,6-dideoxy-3,4-bis-O-(2,2-dimethylpropanoyl)-L-arabino-hexitol | C26H36O8

(1S)-1-[4-(Allyloxy)-3-formyl-2-hydroxyphenyl]-1,5-anhydro-2,6-dideoxy-3,4-bis-O-(2,2-dimethylpropanoyl)-L-arabino-hexitol

  • Molecular FormulaC26H36O8
  • Average mass476.559 Da
  • Monoisotopic mass476.241028 Da
  • ChemSpider ID24531401

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S)-1-[4-(Allyloxy)-3-formyl-2-hydroxyphenyl]-1,5-anhydro-2,6-dideoxy-3,4-bis-O-(2,2-dimethylpropanoyl)-L-arabino-hexitol [ACD/IUPAC Name]
(1S)-1-[4-(Allyloxy)-3-formyl-2-hydroxyphenyl]-1,5-anhydro-2,6-didesoxy-3,4-bis-O-(2,2-dimethylpropanoyl)-L-arabino-hexitol [German] [ACD/IUPAC Name]
(1S)-1-[4-(Allyloxy)-3-formyl-2-hydroxyphényl]-1,5-anhydro-2,6-didésoxy-3,4-bis-O-(2,2-diméthylpropanoyl)-L-arabino-hexitol [French] [ACD/IUPAC Name]
L-arabino-Hexitol, 1,5-anhydro-2,6-dideoxy-1-C-[3-formyl-2-hydroxy-4-(2-propen-1-yloxy)phenyl]-, bis(2,2-dimethylpropanoate), (1S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 525.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.0±3.0 kJ/mol
Flash Point: 163.0±23.6 °C
Index of Refraction: 1.532
Molar Refractivity: 126.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 5.64
ACD/LogD (pH 5.5): 5.39
ACD/BCF (pH 5.5): 7356.21
ACD/KOC (pH 5.5): 20341.03
ACD/LogD (pH 7.4): 5.18
ACD/BCF (pH 7.4): 4560.64
ACD/KOC (pH 7.4): 12610.85
Polar Surface Area: 108 Å2
Polarizability: 50.0±0.5 10-24cm3
Surface Tension: 46.2±5.0 dyne/cm
Molar Volume: 407.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement