ChemSpider 2D Image | 2-{4-[2-(beta-D-Glucopyranosyloxy)ethyl]-1-piperazinyl}ethanesulfonic acid | C14H28N2O9S

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

  • Molecular FormulaC14H28N2O9S
  • Average mass400.445 Da
  • Monoisotopic mass400.151550 Da
  • ChemSpider ID35035968
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

1-Piperazineethanesulfonic acid, 4-[2-(β-D-glucopyranosyloxy)ethyl]- [ACD/Index Name]
2-{4-[2-(β-D-Glucopyranosyloxy)ethyl]-1-piperazinyl}ethanesulfonic acid [ACD/IUPAC Name]
2-{4-[2-(β-D-Glucopyranosyloxy)ethyl]-1-piperazinyl}ethansulfonsäure [German] [ACD/IUPAC Name]
2-{4-[2-(β-D-Glucopyranosyloxy)ethyl]piperazin-1-Yl}ethanesulfonic Acid
Acide 2-{4-[2-(β-D-glucopyranosyloxy)éthyl]-1-pipérazinyl}éthanesulfonique [French] [ACD/IUPAC Name]
GBH

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.622
Molar Refractivity: 90.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -5.01
ACD/LogD (pH 5.5): -7.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 169 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 85.0±5.0 dyne/cm
Molar Volume: 256.7±5.0 cm3

Click to predict properties on the Chemicalize site






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