ChemSpider 2D Image | (1S,5R)-2-[(4S)-4-Azepanylcarbamoyl]-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid | C12H20N4O5S

(1S,5R)-2-[(4S)-4-Azepanylcarbamoyl]-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid

  • Molecular FormulaC12H20N4O5S
  • Average mass332.376 Da
  • Monoisotopic mass332.115448 Da
  • ChemSpider ID24650237

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,5R)-2-[(4S)-4-Azepanylcarbamoyl]-7-oxo-2,6-diazabicyclo[3.2.0]heptan-6-sulfonsäure [German] [ACD/IUPAC Name]
(1S,5R)-2-[(4S)-4-Azepanylcarbamoyl]-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid [ACD/IUPAC Name]
2,6-Diazabicyclo[3.2.0]heptane-6-sulfonic acid, 2-[[[(4S)-hexahydro-1H-azepin-4-yl]amino]carbonyl]-7-oxo-, (1S,5R)- [ACD/Index Name]
Acide (1S,5R)-2-[(4S)-4-azépanylcarbamoyl]-7-oxo-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: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.649
Molar Refractivity: 77.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -2.38
ACD/LogD (pH 5.5): -4.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 127 Å2
Polarizability: 30.6±0.5 10-24cm3
Surface Tension: 79.6±5.0 dyne/cm
Molar Volume: 211.7±5.0 cm3

Click to predict properties on the Chemicalize site


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