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ChemSpider 2D Image | 5-[(3-~13~C)-1,2-Dithiolan-3-yl](1,2,5-~13~C_3_)pentanoic acid | C413C4H14O2S2

5-[(3-13C)-1,2-Dithiolan-3-yl](1,2,5-13C3)pentanoic acid

  • Molecular FormulaC413C4H14O2S2
  • Average mass210.296 Da
  • Monoisotopic mass210.056946 Da
  • ChemSpider ID49072877
  • Non-standard isotope - Non-standard isotope


More details:






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

1,2-Dithiolane-3-13C-3-pentanoic-α,δ,carboxy-13C3 acid [ACD/Index Name]
5-[(3-13C)-1,2-Dithiolan-3-yl](1,2,5-13C3)pentanoic acid [ACD/IUPAC Name]
5-[(3-13C)-1,2-Dithiolan-3-yl](1,2,5-13C3)pentansäure [German] [ACD/IUPAC Name]
Acide 5-[(3-13C)-1,2-dithiolan-3-yl](1,2,5-13C3)pentanoïque [French] [ACD/IUPAC Name]
DL-α-LIPOIC ACID-1,2,5,6-13C4

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.562
Molar Refractivity: 54.9±0.3 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
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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