ChemSpider 2D Image | 2-(4-Piperidinyl)ethyl (2S,5R)-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]octane-2-carboxylate | C14H23N3O7S

2-(4-Piperidinyl)ethyl (2S,5R)-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]octane-2-carboxylate

  • Molecular FormulaC14H23N3O7S
  • Average mass377.413 Da
  • Monoisotopic mass377.125671 Da
  • ChemSpider ID34951174

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,5R)-7-Oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]octane-2-carboxylate de 2-(4-pipéridinyl)éthyle [French] [ACD/IUPAC Name]
1,6-Diazabicyclo[3.2.1]octane-2-carboxylic acid, 7-oxo-6-(sulfooxy)-, 2-[2-(4-piperidinyl)ethyl] ester, (2S,5R)- [ACD/Index Name]
2-(4-Piperidinyl)ethyl (2S,5R)-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]octane-2-carboxylate [ACD/IUPAC Name]
2-(4-Piperidinyl)ethyl-(2S,5R)-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]octan-2-carboxylat [German] [ACD/IUPAC Name]
US8487093, 260

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.609
Molar Refractivity: 86.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -1.12
ACD/LogD (pH 5.5): -4.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 134 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 72.2±5.0 dyne/cm
Molar Volume: 248.7±5.0 cm3

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