ChemSpider 2D Image | 3-{4-[2-(beta-D-Glucopyranosyloxy)ethyl]-1-piperazinyl}-1-propanesulfonic acid | C15H30N2O9S

3-{4-[2-(β-D-Glucopyranosyloxy)ethyl]-1-piperazinyl}-1-propanesulfonic acid

  • Molecular FormulaC15H30N2O9S
  • Average mass414.472 Da
  • Monoisotopic mass414.167206 Da
  • ChemSpider ID35035967
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

1-Piperazinepropanesulfonic acid, 4-[2-(β-D-glucopyranosyloxy)ethyl]- [ACD/Index Name]
3-{4-[2-(β-D-Glucopyranosyloxy)ethyl]-1-piperazinyl}-1-propanesulfonic acid [ACD/IUPAC Name]
3-{4-[2-(β-D-Glucopyranosyloxy)ethyl]-1-piperazinyl}-1-propansulfonsäure [German] [ACD/IUPAC Name]
3-{4-[2-(β-D-Glucopyranosyloxy)ethyl]piperazin-1-Yl}propane-1-Sulfonic Acid
Acide 3-{4-[2-(β-D-glucopyranosyloxy)éthyl]-1-pipérazinyl}-1-propanesulfonique [French] [ACD/IUPAC Name]
GBE

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.613
Molar Refractivity: 95.0±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -4.79
ACD/LogD (pH 5.5): -7.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 169 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 81.4±5.0 dyne/cm
Molar Volume: 272.9±5.0 cm3

Click to predict properties on the Chemicalize site






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