ChemSpider 2D Image | 1-Octyl-1H-benzimidazol-2-yl 2,3,4,6-tetra-O-acetyl-1-thiohexopyranoside | C29H40N2O9S

1-Octyl-1H-benzimidazol-2-yl 2,3,4,6-tetra-O-acetyl-1-thiohexopyranoside

  • Molecular FormulaC29H40N2O9S
  • Average mass592.701 Da
  • Monoisotopic mass592.245422 Da
  • ChemSpider ID11987466

More details:

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

1-Octyl-1H-benzimidazol-2-yl 2,3,4,6-tetra-O-acetyl-1-thiohexopyranoside [ACD/IUPAC Name]
1-Octyl-1H-benzimidazol-2-yl-2,3,4,6-tetra-O-acetyl-1-thiohexopyranosid [German] [ACD/IUPAC Name]
2,3,4,6-Tétra-O-acétyl-1-thiohexopyranoside de 1-octyl-1H-benzimidazol-2-yle [French] [ACD/IUPAC Name]
Hexopyranoside, 1-octyl-1H-benzimidazol-2-yl 1-thio-, 2,3,4,6-tetraacetate [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 666.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.0±3.0 kJ/mol
Flash Point: 356.9±34.3 °C
Index of Refraction: 1.578
Molar Refractivity: 152.8±0.5 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 7.95
ACD/LogD (pH 5.5): 7.22
ACD/BCF (pH 5.5): 176160.39
ACD/KOC (pH 5.5): 191626.45
ACD/LogD (pH 7.4): 7.27
ACD/BCF (pH 7.4): 197243.61
ACD/KOC (pH 7.4): 214560.67
Polar Surface Area: 158 Å2
Polarizability: 60.6±0.5 10-24cm3
Surface Tension: 45.3±7.0 dyne/cm
Molar Volume: 460.3±7.0 cm3

Click to predict properties on the Chemicalize site


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