ChemSpider 2D Image | (3S)-2-Oxo-3-{[(2R)-2-phenyl-2-sulfoacetyl]amino}-1-azetidinesulfonic acid | C11H12N2O8S2

(3S)-2-Oxo-3-{[(2R)-2-phenyl-2-sulfoacetyl]amino}-1-azetidinesulfonic acid

  • Molecular FormulaC11H12N2O8S2
  • Average mass364.352 Da
  • Monoisotopic mass364.003510 Da
  • ChemSpider ID57523413
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(3S)-2-Oxo-3-{[(2R)-2-phenyl-2-sulfoacetyl]amino}-1-azetidinesulfonic acid [ACD/IUPAC Name]
(3S)-2-Oxo-3-{[(2R)-2-phenyl-2-sulfoacetyl]amino}-1-azetidinsulfonsäure [German] [ACD/IUPAC Name]
1-Azetidinesulfonic acid, 2-oxo-3-[(phenylsulfoacetyl)amino]-, [R-(R*,S*)]-
1-Azetidinesulfonic acid, 2-oxo-3-[[(2R)-2-phenyl-2-sulfoacetyl]amino]-, (3S)- [ACD/Index Name]
86710-50-1 [RN]
Acide (3S)-2-oxo-3-{[(2R)-2-phényl-2-sulfoacétyl]amino}-1-azétidinesulfonique [French] [ACD/IUPAC Name]
CEFSULODIN MONOBACTAM

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.702
Molar Refractivity: 76.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -3.74
ACD/LogD (pH 5.5): -8.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 175 Å2
Polarizability: 30.2±0.5 10-24cm3
Surface Tension: 103.9±5.0 dyne/cm
Molar Volume: 196.9±5.0 cm3

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