ChemSpider 2D Image | (2S,3S)-3-Decyl-2-hydroxy-2-(3-methoxy-3-oxopropyl)succinic acid | C18H32O7

(2S,3S)-3-Decyl-2-hydroxy-2-(3-methoxy-3-oxopropyl)succinic acid

  • Molecular FormulaC18H32O7
  • Average mass360.443 Da
  • Monoisotopic mass360.214813 Da
  • ChemSpider ID22842410

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3S)-3-Decyl-2-hydroxy-2-(3-methoxy-3-oxopropyl)bernsteinsäure [German] [ACD/IUPAC Name]
(2S,3S)-3-Decyl-2-hydroxy-2-(3-methoxy-3-oxopropyl)succinic acid [ACD/IUPAC Name]
1,3,4-Tetradecanetricarboxylic acid, 3-hydroxy-, 1-methyl ester, (3S,4S)- [ACD/Index Name]
Acide (2S,3S)-3-décyl-2-hydroxy-2-(3-méthoxy-3-oxopropyl)succinique [French] [ACD/IUPAC Name]
(2S,3S)-3-decyl-2-hydroxy-2-(3-methoxy-3-oxopropyl)butanedioic acid
Compound NP-004614

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

Density: 1.1±0.1 g/cm3
Boiling Point: 511.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 90.1±6.0 kJ/mol
Flash Point: 173.4±23.6 °C
Index of Refraction: 1.492
Molar Refractivity: 91.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 1
ACD/LogP: 5.14
ACD/LogD (pH 5.5): 1.58
ACD/BCF (pH 5.5): 1.43
ACD/KOC (pH 5.5): 4.83
ACD/LogD (pH 7.4): 0.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 121 Å2
Polarizability: 36.4±0.5 10-24cm3
Surface Tension: 46.5±3.0 dyne/cm
Molar Volume: 316.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement