ChemSpider 2D Image | 1-O-Acetyl-3,4,6-tri-O-isobutyrylhex-2-ulofuranosyl 6-O-acetyl-2,3,4-tri-O-isobutyrylhexopyranoside | C40H62O19

1-O-Acetyl-3,4,6-tri-O-isobutyrylhex-2-ulofuranosyl 6-O-acetyl-2,3,4-tri-O-isobutyrylhexopyranoside

  • Molecular FormulaC40H62O19
  • Average mass846.909 Da
  • Monoisotopic mass846.388550 Da
  • ChemSpider ID10814732

More details:

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

1-O-Acetyl-3,4,6-tri-O-isobutyrylhex-2-ulofuranosyl 6-O-acetyl-2,3,4-tri-O-isobutyrylhexopyranoside [ACD/IUPAC Name]
1-O-Acetyl-3,4,6-tri-O-isobutyrylhex-2-ulofuranosyl-6-O-acetyl-2,3,4-tri-O-isobutyrylhexopyranosid [German] [ACD/IUPAC Name]
2-(Acetoxymethyl)-6-({2-(acetoxymethyl)-3,4-bis(isobutyryloxy)-5-[(isobutyryloxy)methyl]tetrahydro-2-furanyl}oxy)tetrahydro-2H-pyran-3,4,5-triyl tris(2-methylpropanoate)
2-(Acetoxymethyl)-6-({2-(acetoxymethyl)-3,4-bis(isobutyryloxy)-5-[(isobutyryloxy)methyl]tetrahydro-2-furanyl}oxy)tetrahydro-2H-pyran-3,4,5-triyltris(2-methylpropanoat)
6-O-Acétyl-2,3,4-tri-O-isobutyrylhexopyranoside de 1-O-acétyl-3,4,6-tri-O-isobutyrylhex-2-ulofuranosyle [French] [ACD/IUPAC Name]
Hexopyranoside, 1-O-acetyl-3,4,6-tris-O-(2-methyl-1-oxopropyl)-2-hexulofuranosyl, 6-acetate 2,3,4-tris(2-methylpropanoate) [ACD/Index Name]
Tris(2-méthylpropanoate) de 2-(acétoxyméthyl)-6-({2-(acétoxyméthyl)-3,4-bis(isobutyryloxy)-5-[(isobutyryloxy)méthyl]tétrahydro-2-furanyl}oxy)tétrahydro-2H-pyran-3,4,5-triyle

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

Density: 1.2±0.1 g/cm3
Boiling Point: 758.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.5±3.0 kJ/mol
Flash Point: 296.6±32.9 °C
Index of Refraction: 1.500
Molar Refractivity: 203.0±0.4 cm3
#H bond acceptors: 19
#H bond donors: 0
#Freely Rotating Bonds: 27
#Rule of 5 Violations: 3
ACD/LogP: 8.46
ACD/LogD (pH 5.5): 7.32
ACD/BCF (pH 5.5): 216879.67
ACD/KOC (pH 5.5): 229742.25
ACD/LogD (pH 7.4): 7.32
ACD/BCF (pH 7.4): 216879.67
ACD/KOC (pH 7.4): 229742.25
Polar Surface Area: 238 Å2
Polarizability: 80.5±0.5 10-24cm3
Surface Tension: 47.0±5.0 dyne/cm
Molar Volume: 690.0±5.0 cm3

Click to predict properties on the Chemicalize site


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