ChemSpider 2D Image | (2S)-2-Hydroxy-2-[2-(octadecyloxy)-2-oxoethyl]succinic acid | C24H44O7

(2S)-2-Hydroxy-2-[2-(octadecyloxy)-2-oxoethyl]succinic acid

  • Molecular FormulaC24H44O7
  • Average mass444.602 Da
  • Monoisotopic mass444.308716 Da
  • ChemSpider ID34990238

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Hydroxy-2-[2-(octadecyloxy)-2-oxoethyl]bernsteinsäure [German] [ACD/IUPAC Name]
(2S)-2-Hydroxy-2-[2-(octadecyloxy)-2-oxoethyl]succinic acid [ACD/IUPAC Name]
1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1-octadecyl ester, (2S)- [ACD/Index Name]
Acide (2S)-2-hydroxy-2-[2-(octadécyloxy)-2-oxoéthyl]succinique [French] [ACD/IUPAC Name]
1337-33-3 [RN]
215-654-4 [EINECS]
67939-31-5 [RN]
CITRIC ACID, 1-STEARYL ESTER
MONOSTEARYL CITRATE
UNII-E945AJ51FA
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 585.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.3±6.0 kJ/mol
Flash Point: 186.2±23.6 °C
Index of Refraction: 1.488
Molar Refractivity: 119.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 1
ACD/LogP: 8.60
ACD/LogD (pH 5.5): 4.05
ACD/BCF (pH 5.5): 87.46
ACD/KOC (pH 5.5): 72.27
ACD/LogD (pH 7.4): 3.08
ACD/BCF (pH 7.4): 9.37
ACD/KOC (pH 7.4): 7.74
Polar Surface Area: 121 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 43.7±3.0 dyne/cm
Molar Volume: 415.0±3.0 cm3

Click to predict properties on the Chemicalize site


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