ChemSpider 2D Image | (1S,5R)-2-{[(4S)-1-(3-Hydroxypropyl)-4-azepaniumyl]carbamoyl}-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonate | C15H26N4O6S

(1S,5R)-2-{[(4S)-1-(3-Hydroxypropyl)-4-azepaniumyl]carbamoyl}-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonate

  • Molecular FormulaC15H26N4O6S
  • Average mass390.455 Da
  • Monoisotopic mass390.157318 Da
  • ChemSpider ID26633617

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,5R)-2-{[(4S)-1-(3-Hydroxypropyl)-4-azepaniumyl]carbamoyl}-7-oxo-2,6-diazabicyclo[3.2.0]heptan-6-sulfonat [German] [ACD/IUPAC Name]
(1S,5R)-2-{[(4S)-1-(3-Hydroxypropyl)-4-azepaniumyl]carbamoyl}-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonate [ACD/IUPAC Name]
(1S,5R)-2-{[(4S)-1-(3-Hydroxypropyl)-4-azépaniumyl]carbamoyl}-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonate [French] [ACD/IUPAC Name]
2,6-Diazabicyclo[3.2.0]heptane-6-sulfonic acid, 2-[[[(4S)-hexahydro-1-(3-hydroxypropyl)-1H-azepin-4-yl]amino]carbonyl]-7-oxo-, (1S,5R)- [ACD/Index Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -2.85
ACD/LogD (pH 5.5): -4.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 143 Å2
Polarizability:
Surface Tension:
Molar Volume:

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