ChemSpider 2D Image | (2S,3S)-2-Methoxy-3-[(4-methoxybenzoyl)oxy]succinic acid | C13H14O8

(2S,3S)-2-Methoxy-3-[(4-methoxybenzoyl)oxy]succinic acid

  • Molecular FormulaC13H14O8
  • Average mass298.246 Da
  • Monoisotopic mass298.068878 Da
  • ChemSpider ID50165709

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3S)-2-Methoxy-3-[(4-methoxybenzoyl)oxy]bernsteinsäure [German] [ACD/IUPAC Name]
(2S,3S)-2-Methoxy-3-[(4-methoxybenzoyl)oxy]succinic acid [ACD/IUPAC Name]
Acide (2S,3S)-2-méthoxy-3-[(4-méthoxybenzoyl)oxy]succinique [French] [ACD/IUPAC Name]
Butanedioic acid, 2-methoxy-3-[(4-methoxybenzoyl)oxy]-, (2S,3S)- [ACD/Index Name]
(+)-Di-4-Anisoyl-D-tartaric acid
191605-10-4 [RN]
MFCD07368366 [MDL number]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 490.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.7±3.0 kJ/mol
Flash Point: 184.9±22.2 °C
Index of Refraction: 1.549
Molar Refractivity: 68.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.67
ACD/LogD (pH 5.5): -3.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 119 Å2
Polarizability: 27.0±0.5 10-24cm3
Surface Tension: 56.5±3.0 dyne/cm
Molar Volume: 213.7±3.0 cm3

Click to predict properties on the Chemicalize site


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