ChemSpider 2D Image | (2S,5S)-5-Hydroxy-1,3-oxathiolane-2-carboxylic acid | C4H6O4S

(2S,5S)-5-Hydroxy-1,3-oxathiolane-2-carboxylic acid

  • Molecular FormulaC4H6O4S
  • Average mass150.153 Da
  • Monoisotopic mass149.998672 Da
  • ChemSpider ID24191362

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,5S)-5-Hydroxy-1,3-oxathiolan-2-carbonsäure [German] [ACD/IUPAC Name]
(2S,5S)-5-Hydroxy-1,3-oxathiolane-2-carboxylic acid [ACD/IUPAC Name]
1,3-Oxathiolane-2-carboxylic acid, 5-hydroxy-, (2R,5R)-rel-
1,3-Oxathiolane-2-carboxylic acid, 5-hydroxy-, (2S,5S)- [ACD/Index Name]
147027-04-1 [RN]
Acide (2S,5S)-5-hydroxy-1,3-oxathiolane-2-carboxylique [French] [ACD/IUPAC Name]
1,3-OXATHIOLANE-2-CARBOXYLIC ACID, 5-HYDROXY-, TRANS-
1,3-Oxathiolane-2-carboxylic acid, 5-hydroxy-, trans- (9CI)
rac-trans-5-Hydroxy-1,3-oxathiolane-2-carboxylic Acid
TRANS-5-HYDROXY-1,3-OXATHIOLANE-2-CARBOXYLIC ACID

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

Density: 1.7±0.1 g/cm3
Boiling Point: 434.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 79.8±6.0 kJ/mol
Flash Point: 216.8±28.7 °C
Index of Refraction: 1.626
Molar Refractivity: 31.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.79
ACD/LogD (pH 5.5): -4.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 92 Å2
Polarizability: 12.4±0.5 10-24cm3
Surface Tension: 84.7±3.0 dyne/cm
Molar Volume: 88.5±3.0 cm3

Click to predict properties on the Chemicalize site


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