ChemSpider 2D Image | 4-(3-Hydroxy-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-3-pyrrolidinyl)tetrahydro-2H-thiopyran-4-carboxylic acid 1,1-dioxide | C15H25NO7S

4-(3-Hydroxy-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-3-pyrrolidinyl)tetrahydro-2H-thiopyran-4-carboxylic acid 1,1-dioxide

  • Molecular FormulaC15H25NO7S
  • Average mass363.427 Da
  • Monoisotopic mass363.135162 Da
  • ChemSpider ID65671146

More details:

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

1-Pyrrolidinecarboxylic acid, 3-(4-carboxytetrahydro-1,1-dioxido-2H-thiopyran-4-yl)-3-hydroxy-, 1-(1,1-dimethylethyl) ester [ACD/Index Name]
4-(3-Hydroxy-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-3-pyrrolidinyl)tetrahydro-2H-thiopyran-4-carbonsäure-1,1-dioxid [German] [ACD/IUPAC Name]
4-(3-Hydroxy-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-3-pyrrolidinyl)tetrahydro-2H-thiopyran-4-carboxylic acid 1,1-dioxide [ACD/IUPAC Name]
Acide 1,1-dioxyde de 4-(3-hydroxy-1-{[(2-méthyl-2-propanyl)oxy]carbonyl}-3-pyrrolidinyl)tétrahydro-2H-thiopyrane-4-carboxylique [French] [ACD/IUPAC Name]
2172541-97-6 [RN]
4-{1-[(tert-butoxy)carbonyl]-3-hydroxypyrrolidin-3-yl}-1,1-dioxo-1λ6-thiane-4-carboxylic acid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 589.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.9±6.0 kJ/mol
Flash Point: 310.0±30.1 °C
Index of Refraction: 1.570
Molar Refractivity: 85.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.50
ACD/LogD (pH 5.5): -2.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 130 Å2
Polarizability: 33.8±0.5 10-24cm3
Surface Tension: 62.9±3.0 dyne/cm
Molar Volume: 259.7±3.0 cm3

Click to predict properties on the Chemicalize site


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