ChemSpider 2D Image | (1S,5R)-7-Oxo-2-{[(3S)-2-oxo-3-azepanyl]carbamoyl}-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid | C12H18N4O6S

(1S,5R)-7-Oxo-2-{[(3S)-2-oxo-3-azepanyl]carbamoyl}-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid

  • Molecular FormulaC12H18N4O6S
  • Average mass346.359 Da
  • Monoisotopic mass346.094696 Da
  • ChemSpider ID24643424

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,5R)-7-Oxo-2-{[(3S)-2-oxo-3-azepanyl]carbamoyl}-2,6-diazabicyclo[3.2.0]heptan-6-sulfonsäure [German] [ACD/IUPAC Name]
(1S,5R)-7-Oxo-2-{[(3S)-2-oxo-3-azepanyl]carbamoyl}-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid [ACD/IUPAC Name]
2,6-Diazabicyclo[3.2.0]heptane-6-sulfonic acid, 2-[[[(3S)-hexahydro-2-oxo-1H-azepin-3-yl]amino]carbonyl]-7-oxo-, (1S,5R)- [ACD/Index Name]
Acide (1S,5R)-7-oxo-2-{[(3S)-2-oxo-3-azépanyl]carbamoyl}-2,6-diazabicyclo[3.2.0]heptane-6-sulfonique [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.662
Molar Refractivity: 77.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -3.99
ACD/LogD (pH 5.5): -6.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 145 Å2
Polarizability: 30.6±0.5 10-24cm3
Surface Tension: 87.2±5.0 dyne/cm
Molar Volume: 208.6±5.0 cm3

Click to predict properties on the Chemicalize site


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