ChemSpider 2D Image | Dimethyl (2S,3R)-2-[(3,5-dimethoxy-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]-3-[(S)-(4-hydroxy-3,5-dimethoxyphenyl)(methoxy)methyl]succinate | C25H30O11

Dimethyl (2S,3R)-2-[(3,5-dimethoxy-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]-3-[(S)-(4-hydroxy-3,5-dimethoxyphenyl)(methoxy)methyl]succinate

  • Molecular FormulaC25H30O11
  • Average mass506.499 Da
  • Monoisotopic mass506.178802 Da
  • ChemSpider ID8499382

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S,3R)-2-[(3,5-Diméthoxy-4-oxo-2,5-cyclohexadién-1-ylidène)méthyl]-3-[(S)-(4-hydroxy-3,5-diméthoxyphényl)(méthoxy)méthyl]succinate de diméthyle [French] [ACD/IUPAC Name]
Butanedioic acid, 2-[(3,5-dimethoxy-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]-3-[(S)-(4-hydroxy-3,5-dimethoxyphenyl)methoxymethyl]-, dimethyl ester, (2S,3R)- [ACD/Index Name]
Dimethyl (2S,3R)-2-[(3,5-dimethoxy-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]-3-[(S)-(4-hydroxy-3,5-dimethoxyphenyl)(methoxy)methyl]succinate [ACD/IUPAC Name]
Dimethyl-(2S,3R)-2-[(3,5-dimethoxy-4-oxo-2,5-cyclohexadien-1-yliden)methyl]-3-[(S)-(4-hydroxy-3,5-dimethoxyphenyl)(methoxy)methyl]succinat [German] [ACD/IUPAC 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: 693.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.2±3.0 kJ/mol
Flash Point: 229.7±25.0 °C
Index of Refraction: 1.555
Molar Refractivity: 125.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 1.85
ACD/LogD (pH 5.5): 1.75
ACD/BCF (pH 5.5): 12.62
ACD/KOC (pH 5.5): 213.73
ACD/LogD (pH 7.4): 1.75
ACD/BCF (pH 7.4): 12.58
ACD/KOC (pH 7.4): 212.94
Polar Surface Area: 136 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 51.9±5.0 dyne/cm
Molar Volume: 391.5±5.0 cm3

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