ChemSpider 2D Image | (2S,5R)-2-[(4-Amino-1-piperidinyl)carbonyl]-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]octan-7-one | C12H20N4O6S

(2S,5R)-2-[(4-Amino-1-piperidinyl)carbonyl]-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]octan-7-one

  • Molecular FormulaC12H20N4O6S
  • Average mass348.375 Da
  • Monoisotopic mass348.110352 Da
  • ChemSpider ID34951120

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,5R)-2-[(4-Amino-1-piperidinyl)carbonyl]-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]octan-7-on [German] [ACD/IUPAC Name]
(2S,5R)-2-[(4-Amino-1-piperidinyl)carbonyl]-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]octan-7-one [ACD/IUPAC Name]
(2S,5R)-2-[(4-Amino-1-pipéridinyl)carbonyl]-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]octan-7-one [French] [ACD/IUPAC Name]
1,6-Diazabicyclo[3.2.1]octan-7-one, 2-[(4-amino-1-piperidinyl)carbonyl]-6-(sulfooxy)-, (2S,5R)- [ACD/Index Name]
US8487093, 136

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.666
Molar Refractivity: 79.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -2.63
ACD/LogD (pH 5.5): -5.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 142 Å2
Polarizability: 31.3±0.5 10-24cm3
Surface Tension: 88.5±5.0 dyne/cm
Molar Volume: 212.6±5.0 cm3

Click to predict properties on the Chemicalize site


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