ChemSpider 2D Image | (4R,7R)-7-Amino-6-oxo-1,2,5-dithiazocane-4-carboxylic acid | C6H10N2O3S2

(4R,7R)-7-Amino-6-oxo-1,2,5-dithiazocane-4-carboxylic acid

  • Molecular FormulaC6H10N2O3S2
  • Average mass222.285 Da
  • Monoisotopic mass222.013275 Da
  • ChemSpider ID25054934

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4R,7R)-7-Amino-6-oxo-1,2,5-dithiazocan-4-carbonsäure [German] [ACD/IUPAC Name]
(4R,7R)-7-Amino-6-oxo-1,2,5-dithiazocane-4-carboxylic acid [ACD/IUPAC Name]
Acide (4R,7R)-7-amino-6-oxo-1,2,5-dithiazocane-4-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 567.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 93.2±6.0 kJ/mol
Flash Point: 297.2±30.1 °C
Index of Refraction: 1.601
Molar Refractivity: 52.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.12
ACD/LogD (pH 5.5): -3.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 143 Å2
Polarizability: 20.8±0.5 10-24cm3
Surface Tension: 60.2±3.0 dyne/cm
Molar Volume: 153.2±3.0 cm3

Click to predict properties on the Chemicalize site


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