ChemSpider 2D Image | 1-{4-[(1S,2S,3S,4R,5R)-2-Amino-3-hydroxy-6,8-dioxabicyclo[3.2.1]oct-4-yl]-1-piperazinyl}ethanone | C12H21N3O4

1-{4-[(1S,2S,3S,4R,5R)-2-Amino-3-hydroxy-6,8-dioxabicyclo[3.2.1]oct-4-yl]-1-piperazinyl}ethanone

  • Molecular FormulaC12H21N3O4
  • Average mass271.313 Da
  • Monoisotopic mass271.153198 Da
  • ChemSpider ID22806491

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1-{4-[(1S,2S,3S,4R,5R)-2-Amino-3-hydroxy-6,8-dioxabicyclo[3.2.1]oct-4-yl]-1-piperazinyl}ethanon [German] [ACD/IUPAC Name]
1-{4-[(1S,2S,3S,4R,5R)-2-Amino-3-hydroxy-6,8-dioxabicyclo[3.2.1]oct-4-yl]-1-piperazinyl}ethanone [ACD/IUPAC Name]
1-{4-[(1S,2S,3S,4R,5R)-2-Amino-3-hydroxy-6,8-dioxabicyclo[3.2.1]oct-4-yl]-1-pipérazinyl}éthanone [French] [ACD/IUPAC Name]
1-(4-((1S,2S,3S,4R,5R)-2-amino-3-hydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl)piperazin-1-yl)ethanone
1212611-68-1 [RN]
MFCD12023023 [MDL number]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 484.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 86.4±6.0 kJ/mol
Flash Point: 246.9±28.7 °C
Index of Refraction: 1.573
Molar Refractivity: 66.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.57
ACD/LogD (pH 5.5): -3.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.03
Polar Surface Area: 88 Å2
Polarizability: 26.5±0.5 10-24cm3
Surface Tension: 56.7±3.0 dyne/cm
Molar Volume: 203.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement