Found 15 results

Search term: XCNVFDDRUPMRPU (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 4-Aminophenyl 1-thio-beta-D-galactopyranoside | C12H17NO5S

4-Aminophenyl 1-thio-β-D-galactopyranoside

  • Molecular FormulaC12H17NO5S
  • Average mass287.332 Da
  • Monoisotopic mass287.082733 Da
  • ChemSpider ID21436027

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

1-Thio-β-D-galactopyranoside de 4-aminophényle [French] [ACD/IUPAC Name]
4-Aminophenyl 1-thio-β-D-galactopyranoside [ACD/IUPAC Name]
4-Aminophenyl-1-thio-β-D-galactopyranosid [German] [ACD/IUPAC Name]
β-D-Galactopyranoside, 4-aminophenyl 1-thio- [ACD/Index Name]
A-7130

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

Density: 1.5±0.1 g/cm3
Boiling Point: 586.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.1±3.0 kJ/mol
Flash Point: 308.5±30.1 °C
Index of Refraction: 1.698
Molar Refractivity: 71.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -1.94
ACD/LogD (pH 5.5): -1.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.11
ACD/LogD (pH 7.4): -1.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.25
Polar Surface Area: 141 Å2
Polarizability: 28.5±0.5 10-24cm3
Surface Tension: 89.3±5.0 dyne/cm
Molar Volume: 186.4±5.0 cm3

Click to predict properties on the Chemicalize site


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