ChemSpider 2D Image | 3-[(Dimethoxyphosphorothioyl)sulfanyl]-4-[(~2~H_5_)ethyloxy]-4-oxobutanoic acid | C8H10D5O6PS2

3-[(Dimethoxyphosphorothioyl)sulfanyl]-4-[(2H5)ethyloxy]-4-oxobutanoic acid

  • Molecular FormulaC8H10D5O6PS2
  • Average mass307.336 Da
  • Monoisotopic mass307.036133 Da
  • ChemSpider ID58783728

  • Non-standard isotope - Non-standard isotope

More details:

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

3-[(Dimethoxyphosphorothioyl)sulfanyl]-4-[(2H5)ethyloxy]-4-oxobutanoic acid [ACD/IUPAC Name]
3-[(Dimethoxyphosphorothioyl)sulfanyl]-4-[(2H5)ethyloxy]-4-oxobutansäure [German] [ACD/IUPAC Name]
Acide 3-[(diméthoxyphosphorothioyl)sulfanyl]-4-[(2H5)éthyloxy]-4-oxobutanoïque [French] [ACD/IUPAC Name]
Butanedioic acid, 2-[(dimethoxyphosphinothioyl)thio]-, 1-ethyl-d5 ester [ACD/Index Name]
1346599-04-9 [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: 401.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 71.6±6.0 kJ/mol
Flash Point: 196.4±31.5 °C
Index of Refraction: 1.537
Molar Refractivity: 68.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.19
ACD/LogD (pH 5.5): 0.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.16
ACD/LogD (pH 7.4): -1.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 149 Å2
Polarizability: 27.0±0.5 10-24cm3
Surface Tension: 56.8±3.0 dyne/cm
Molar Volume: 217.8±3.0 cm3

Click to predict properties on the Chemicalize site


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