ChemSpider 2D Image | [2-(2-Oxoethyl)-1,3-dithiolane-4,5-diyl]bis(methylene) bis(2-amino-3-hydroxypropanoate) | C13H22N2O7S2

[2-(2-Oxoethyl)-1,3-dithiolane-4,5-diyl]bis(methylene) bis(2-amino-3-hydroxypropanoate)

  • Molecular FormulaC13H22N2O7S2
  • Average mass382.453 Da
  • Monoisotopic mass382.086853 Da
  • ChemSpider ID24624810

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

[2-(2-Oxoethyl)-1,3-dithiolan-4,5-diyl]dimethylen-bis(2-amino-3-hydroxypropanoat) [German] [ACD/IUPAC Name]
[2-(2-Oxoethyl)-1,3-dithiolane-4,5-diyl]bis(methylene) bis(2-amino-3-hydroxypropanoate) [ACD/IUPAC Name]
Bis(2-amino-3-hydroxypropanoate) de [2-(2-oxoéthyl)-1,3-dithiolane-4,5-diyl]diméthylène [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 641.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.4±6.0 kJ/mol
Flash Point: 341.5±30.1 °C
Index of Refraction: 1.575
Molar Refractivity: 90.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: -1.74
ACD/LogD (pH 5.5): -4.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.48
Polar Surface Area: 213 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 68.4±3.0 dyne/cm
Molar Volume: 273.8±3.0 cm3

Click to predict properties on the Chemicalize site


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