ChemSpider 2D Image | (2R)-5,5-Dimethyl-2-{[(2-methyl-2-propanyl)oxy]carbonyl}-1,3-thiazolidine-4-carboxylic acid | C11H19NO4S

(2R)-5,5-Dimethyl-2-{[(2-methyl-2-propanyl)oxy]carbonyl}-1,3-thiazolidine-4-carboxylic acid

  • Molecular FormulaC11H19NO4S
  • Average mass261.338 Da
  • Monoisotopic mass261.103485 Da
  • ChemSpider ID26051550
  • defined stereocentres - 1 of 2 defined stereocentres


More details:






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

(2R)-5,5-Dimethyl-2-{[(2-methyl-2-propanyl)oxy]carbonyl}-1,3-thiazolidin-4-carbonsäure [German] [ACD/IUPAC Name]
(2R)-5,5-Dimethyl-2-{[(2-methyl-2-propanyl)oxy]carbonyl}-1,3-thiazolidine-4-carboxylic acid [ACD/IUPAC Name]
2,4-Thiazolidinedicarboxylic acid, 5,5-dimethyl-, 2-(1,1-dimethylethyl) ester, (2R)- [ACD/Index Name]
Acide (2R)-5,5-diméthyl-2-{[(2-méthyl-2-propanyl)oxy]carbonyl}-1,3-thiazolidine-4-carboxylique [French] [ACD/IUPAC Name]
[117918-23-7]
117918-23-7 [RN]
3,4-Thiazolidinedicarboxylicacid, 5,5-dimethyl-, 3-(1,1-dimethylethyl) ester, (4R)-
BOC-(R)-5,5-DIMETHYLTHIAZOLIDINE-4-CARBOXYLIC ACID
BOC-(R)-5,5-DIMETHYLTHIAZOLIDINE-4-CARBOXYLICACID
MFCD02682348 [MDL number]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 391.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 70.4±6.0 kJ/mol
Flash Point: 190.8±27.9 °C
Index of Refraction: 1.502
Molar Refractivity: 65.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.28
ACD/LogD (pH 5.5): -0.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 101 Å2
Polarizability: 26.0±0.5 10-24cm3
Surface Tension: 39.8±3.0 dyne/cm
Molar Volume: 222.1±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement