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Search term: XMQYQVUZHDCFEM-MRCFXUCSSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 3-(beta-D-Galactopyranosylthio)propanoic acid | C9H16O7S

3-(β-D-Galactopyranosylthio)propanoic acid

  • Molecular FormulaC9H16O7S
  • Average mass268.284 Da
  • Monoisotopic mass268.061676 Da
  • ChemSpider ID59053761

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

3-(β-D-Galactopyranosylthio)propanoic acid [ACD/IUPAC Name]
3-(β-D-Galactopyranosylthio)propansäure [German] [ACD/IUPAC Name]
Acide 3-(β-D-galactopyranosylthio)propanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 3-(β-D-galactopyranosylthio)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 577.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 99.3±6.0 kJ/mol
Flash Point: 303.2±30.1 °C
Index of Refraction: 1.626
Molar Refractivity: 59.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -2.09
ACD/LogD (pH 5.5): -2.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 153 Å2
Polarizability: 23.4±0.5 10-24cm3
Surface Tension: 89.6±5.0 dyne/cm
Molar Volume: 167.0±5.0 cm3

Click to predict properties on the Chemicalize site


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