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

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

  • Molecular FormulaC8H15NO6S
  • Average mass253.273 Da
  • Monoisotopic mass253.062012 Da
  • ChemSpider ID29788444
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

(2R,4R)-2-[(1S,2R,3S)-1,2,3,4-Tetrahydroxybutyl]-1,3-thiazolidin-4-carbonsäure [German] [ACD/IUPAC Name]
(2R,4R)-2-[(1S,2R,3S)-1,2,3,4-Tetrahydroxybutyl]-1,3-thiazolidine-4-carboxylic acid [ACD/IUPAC Name]
4-Thiazolidinecarboxylic acid, 2-[(1S,2R,3S)-1,2,3,4-tetrahydroxybutyl]-, (2R,4R)- [ACD/Index Name]
Acide (2R,4R)-2-[(1S,2R,3S)-1,2,3,4-tétrahydroxybutyl]-1,3-thiazolidine-4-carboxylique [French] [ACD/IUPAC Name]
(2R,4R)-2[1S,2R,3S]-1,2,3,4-Tetrahydroxybutyl-1,-thiazolidine-4-carboxylic acid
(2R,4R)-2-[L-Xylo-tetrahydroxybut-1-yl]-1,3-thiazolidine-4-carboxylic acid
(4R)-2-[(1S,2R,3S)-1,2,3,4-Tetrahydroxybutyl]-1,3-thiazolidine-4-carboxylic acid [ACD/IUPAC Name]
115184-30-0 [RN]

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

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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