ChemSpider 2D Image | N-(1,2,5-Dithiazepan-5-ylcarbonyl)-D-alanine | C8H14N2O3S2

N-(1,2,5-Dithiazepan-5-ylcarbonyl)-D-alanine

  • Molecular FormulaC8H14N2O3S2
  • Average mass250.338 Da
  • Monoisotopic mass250.044586 Da
  • ChemSpider ID61315277

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

D-Alanine, N-[(tetrahydro-5H-1,2,5-dithiazepin-5-yl)carbonyl]- [ACD/Index Name]
N-(1,2,5-Dithiazepan-5-ylcarbonyl)-D-alanin [German] [ACD/IUPAC Name]
N-(1,2,5-Dithiazepan-5-ylcarbonyl)-D-alanine [ACD/IUPAC Name]
N-(1,2,5-Dithiazépan-5-ylcarbonyl)-D-alanine [French] [ACD/IUPAC Name]
1867546-42-6 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 544.4±49.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 90.0±6.0 kJ/mol
Flash Point: 283.0±29.8 °C
Index of Refraction: 1.595
Molar Refractivity: 61.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.12
ACD/LogD (pH 5.5): -0.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.48
ACD/LogD (pH 7.4): -2.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 120 Å2
Polarizability: 24.5±0.5 10-24cm3
Surface Tension: 59.2±3.0 dyne/cm
Molar Volume: 182.3±3.0 cm3

Click to predict properties on the Chemicalize site


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