ChemSpider 2D Image | 2-[(1R,2R,3S)-1,2,3,4-Tetrahydroxybutyl]-1,3-thiazolidine-4-carboxylic acid | C8H15NO6S

2-[(1R,2R,3S)-1,2,3,4-Tetrahydroxybutyl]-1,3-thiazolidine-4-carboxylic acid

  • Molecular FormulaC8H15NO6S
  • Average mass253.273 Da
  • Monoisotopic mass253.062012 Da
  • ChemSpider ID34969189

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

2-[(1R,2R,3S)-1,2,3,4-Tetrahydroxybutyl]-1,3-thiazolidin-4-carbonsäure [German] [ACD/IUPAC Name]
2-[(1R,2R,3S)-1,2,3,4-Tetrahydroxybutyl]-1,3-thiazolidine-4-carboxylic acid [ACD/IUPAC Name]
4-Thiazolidinecarboxylic acid, 2-[(1R,2R,3S)-1,2,3,4-tetrahydroxybutyl]- [ACD/Index Name]
Acide 2-[(1R,2R,3S)-1,2,3,4-tétrahydroxybutyl]-1,3-thiazolidine-4-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 654.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 110.4±6.0 kJ/mol
Flash Point: 349.5±31.5 °C
Index of Refraction: 1.638
Molar Refractivity: 56.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -1.73
ACD/LogD (pH 5.5): -4.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 156 Å2
Polarizability: 22.2±0.5 10-24cm3
Surface Tension: 91.1±3.0 dyne/cm
Molar Volume: 155.9±3.0 cm3

Click to predict properties on the Chemicalize site


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