ChemSpider 2D Image | Heptyl 1-thio-beta-D-glucopyranoside | C13H26O5S

Heptyl 1-thio-β-D-glucopyranoside

  • Molecular FormulaC13H26O5S
  • Average mass294.408 Da
  • Monoisotopic mass294.150085 Da
  • ChemSpider ID21436066

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

1-Thio-β-D-glucopyranoside d'heptyle [French] [ACD/IUPAC Name]
Heptyl 1-thio-β-D-glucopyranoside [ACD/IUPAC Name]
Heptyl-1-thio-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside, heptyl 1-thio- [ACD/Index Name]
H-1758

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

Density: 1.2±0.1 g/cm3
Boiling Point: 479.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 85.8±6.0 kJ/mol
Flash Point: 244.1±28.7 °C
Index of Refraction: 1.552
Molar Refractivity: 76.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.30
ACD/LogD (pH 5.5): 1.52
ACD/BCF (pH 5.5): 8.42
ACD/KOC (pH 5.5): 159.94
ACD/LogD (pH 7.4): 1.52
ACD/BCF (pH 7.4): 8.42
ACD/KOC (pH 7.4): 159.94
Polar Surface Area: 115 Å2
Polarizability: 30.1±0.5 10-24cm3
Surface Tension: 56.5±5.0 dyne/cm
Molar Volume: 237.7±5.0 cm3

Click to predict properties on the Chemicalize site


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