ChemSpider 2D Image | 1,3-Di-O-acetyl-4,6-di-O-isobutyryl-beta-D-fructofuranosyl 2,3,4,6-tetra-O-isobutyryl-alpha-D-glucopyranoside | C40H62O19

1,3-Di-O-acetyl-4,6-di-O-isobutyryl-β-D-fructofuranosyl 2,3,4,6-tetra-O-isobutyryl-α-D-glucopyranoside

  • Molecular FormulaC40H62O19
  • Average mass846.909 Da
  • Monoisotopic mass846.388550 Da
  • ChemSpider ID8481799

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

1,3-Di-O-acetyl-4,6-di-O-isobutyryl-β-D-fructofuranosyl 2,3,4,6-tetra-O-isobutyryl-α-D-glucopyranoside [ACD/IUPAC Name]
1,3-Di-O-acetyl-4,6-di-O-isobutyryl-β-D-fructofuranosyl-2,3,4,6-tetra-O-isobutyryl-α-D-glucopyranosid [German] [ACD/IUPAC Name]
2,3,4,6-Tétra-O-isobutyryl-α-D-glucopyranoside de 1,3-di-O-acétyl-4,6-di-O-isobutyryl-β-D-fructofuranosyle [French] [ACD/IUPAC Name]
α-D-Glucopyranoside, 1,3-di-O-acetyl-4,6-bis-O-(2-methyl-1-oxopropyl)-β-D-fructofuranosyl, tetrakis(2-methylpropanoate) [ACD/Index Name]
126-13-6 [RN]
27216-37-1 [RN]
SAIB

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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