ChemSpider 2D Image | (2R,3R)-2,3-Bis{[(2E)-3-(3,4-dimethoxyphenyl)-2-propenoyl]oxy}succinic acid | C26H26O12

(2R,3R)-2,3-Bis{[(2E)-3-(3,4-dimethoxyphenyl)-2-propenoyl]oxy}succinic acid

  • Molecular FormulaC26H26O12
  • Average mass530.477 Da
  • Monoisotopic mass530.142456 Da
  • ChemSpider ID4977014

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,3R)-2,3-Bis{[(2E)-3-(3,4-dimethoxyphenyl)-2-propenoyl]oxy}bernsteinsäure [German] [ACD/IUPAC Name]
(2R,3R)-2,3-Bis{[(2E)-3-(3,4-dimethoxyphenyl)-2-propenoyl]oxy}succinic acid [ACD/IUPAC Name]
Acide (2R,3R)-2,3-bis{[(2E)-3-(3,4-diméthoxyphényl)-2-propenoyl]oxy}succinique [French] [ACD/IUPAC Name]
Butanedioic acid, 2,3-bis[[(2E)-3-(3,4-dimethoxyphenyl)-1-oxo-2-propen-1-yl]oxy]-, (2R,3R)- [ACD/Index Name]
1,2-Bis[3-(3,4-dimethoxyphenyl)prop-2-enoyloxy]ethane-1,2-dicarboxylic acid
DCTA der.
Dicaffeoyltartaric acid der.

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

AIDS072121 [DBID]
AIDS-072121 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 720.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.5±3.0 kJ/mol
Flash Point: 238.4±26.4 °C
Index of Refraction: 1.601
Molar Refractivity: 134.1±0.3 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 5.44
ACD/LogD (pH 5.5): -1.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 164 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 54.3±3.0 dyne/cm
Molar Volume: 391.3±3.0 cm3

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