ChemSpider 2D Image | (2S,5R)-7-Oxo-N'-[(3S)-3-piperidinylcarbonyl]-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide | C13H21N5O7S

(2S,5R)-7-Oxo-N'-[(3S)-3-piperidinylcarbonyl]-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide

  • Molecular FormulaC13H21N5O7S
  • Average mass391.400 Da
  • Monoisotopic mass391.116180 Da
  • ChemSpider ID115037179

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S,5R)-7-Oxo-N'-[(3S)-3-piperidinylcarbonyl]-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]octan-2-carbohydrazid [German] [ACD/IUPAC Name]
(2S,5R)-7-Oxo-N'-[(3S)-3-piperidinylcarbonyl]-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide [ACD/IUPAC Name]
(2S,5R)-7-Oxo-N'-[(3S)-3-pipéridinylcarbonyl]-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide [French] [ACD/IUPAC Name]
1,6-Diazabicyclo[3.2.1]octane-2-carboxylic acid, 7-oxo-6-(sulfooxy)-, 2-[2-[(3S)-3-piperidinylcarbonyl]hydrazide], (2S,5R)- [ACD/Index Name]

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: 1.653
Molar Refractivity: 87.2±0.4 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -3.01
ACD/LogD (pH 5.5): -5.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 166 Å2
Polarizability: 34.6±0.5 10-24cm3
Surface Tension: 86.1±5.0 dyne/cm
Molar Volume: 238.4±5.0 cm3

Click to predict properties on the Chemicalize site


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