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ChemSpider 2D Image | 5-[(3,4,4-~2~H_3_)-1,2-Dithiolan-3-yl](5,5-~2~H_2_)pentanoic acid | C8H9D5O2S2

5-[(3,4,4-2H3)-1,2-Dithiolan-3-yl](5,5-2H2)pentanoic acid

  • Molecular FormulaC8H9D5O2S2
  • Average mass211.356 Da
  • Monoisotopic mass211.074905 Da
  • ChemSpider ID35466743
  • Non-standard isotope - Non-standard isotope


More details:






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

1,2-Dithiolane-3,4,4-d3-3-pentanoic-δ,δ-d2 acid [ACD/Index Name]
5-[(3,4,4-2H3)-1,2-Dithiolan-3-yl](5,5-2H2)pentanoic acid [ACD/IUPAC Name]
5-[(3,4,4-2H3)-1,2-Dithiolan-3-yl](5,5-2H2)pentansäure [German] [ACD/IUPAC Name]
Acide 5-[(3,4,4-2H3)-1,2-dithiolan-3-yl](5,5-2H2)pentanoïque [French] [ACD/IUPAC Name]
1189471-66-6 [RN]
5,5-dideuterio-5-(3,4,4-trideuteriodithiolan-3-yl)pentanoic acid
rac ??-lipoic acid-d5
rac ?-Lipoic Acid-d5
rac α-lipoic acid-d5

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

Density: 1.2±0.1 g/cm3
Boiling Point: 362.5±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 66.8±6.0 kJ/mol
Flash Point: 173.0±19.3 °C
Index of Refraction: 1.562
Molar Refractivity: 54.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.16
ACD/LogD (pH 5.5): 1.67
ACD/BCF (pH 5.5): 6.95
ACD/KOC (pH 5.5): 81.36
ACD/LogD (pH 7.4): -0.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.30
Polar Surface Area: 88 Å2
Polarizability: 21.8±0.5 10-24cm3
Surface Tension: 52.7±3.0 dyne/cm
Molar Volume: 169.4±3.0 cm3

Click to predict properties on the Chemicalize site






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