ChemSpider 2D Image | (2S)-2-{[(2S)-2-{[(2S)-2-Hydroxypropanoyl]oxy}propanoyl]oxy}propanoic acid | C9H14O7

(2S)-2-{[(2S)-2-{[(2S)-2-Hydroxypropanoyl]oxy}propanoyl]oxy}propanoic acid

  • Molecular FormulaC9H14O7
  • Average mass234.203 Da
  • Monoisotopic mass234.073959 Da
  • ChemSpider ID30654250

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S)-2-{[(2S)-2-{[(2S)-2-Hydroxypropanoyl]oxy}propanoyl]oxy}propanoic acid [ACD/IUPAC Name]
(2S)-2-{[(2S)-2-{[(2S)-2-Hydroxypropanoyl]oxy}propanoyl]oxy}propansäure [German] [ACD/IUPAC Name]
Acide (2S)-2-{[(2S)-2-{[(2S)-2-hydroxypropanoyl]oxy}propanoyl]oxy}propanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 2-[(2S)-2-hydroxy-1-oxopropoxy]-, (1S)-1-carboxyethyl ester, (2S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 399.1±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 75.1±6.0 kJ/mol
Flash Point: 155.9±17.2 °C
Index of Refraction: 1.479
Molar Refractivity: 50.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.32
ACD/LogD (pH 5.5): -2.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 110 Å2
Polarizability: 19.9±0.5 10-24cm3
Surface Tension: 49.5±3.0 dyne/cm
Molar Volume: 177.3±3.0 cm3

Click to predict properties on the Chemicalize site


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