ChemSpider 2D Image | (5R)-N-(6-Amino-2-pyridinyl)-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]octane-2-carboxamide | C12H15N5O6S

(5R)-N-(6-Amino-2-pyridinyl)-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]octane-2-carboxamide

  • Molecular FormulaC12H15N5O6S
  • Average mass357.342 Da
  • Monoisotopic mass357.074310 Da
  • ChemSpider ID58899191

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(5R)-N-(6-Amino-2-pyridinyl)-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]octan-2-carboxamid [German] [ACD/IUPAC Name]
(5R)-N-(6-Amino-2-pyridinyl)-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]octane-2-carboxamide [ACD/IUPAC Name]
(5R)-N-(6-Amino-2-pyridinyl)-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]octane-2-carboxamide [French] [ACD/IUPAC Name]
1,6-Diazabicyclo[3.2.1]octane-2-carboxamide, N-(6-amino-2-pyridinyl)-7-oxo-6-(sulfooxy)-, (5R)- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.723
Molar Refractivity: 80.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -1.48
ACD/LogD (pH 5.5): -5.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 164 Å2
Polarizability: 31.8±0.5 10-24cm3
Surface Tension: 108.2±5.0 dyne/cm
Molar Volume: 202.4±5.0 cm3

Click to predict properties on the Chemicalize site


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