ChemSpider 2D Image | Dimethyl (1S,2S)-4-hydroxy-6,7,8-trimethoxy-1-(3,4,5-trimethoxyphenyl)-1,2-dihydro-2,3-naphthalenedicarboxylate | C26H30O11

Dimethyl (1S,2S)-4-hydroxy-6,7,8-trimethoxy-1-(3,4,5-trimethoxyphenyl)-1,2-dihydro-2,3-naphthalenedicarboxylate

  • Molecular FormulaC26H30O11
  • Average mass518.510 Da
  • Monoisotopic mass518.178833 Da
  • ChemSpider ID30816819

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,2S)-4-Hydroxy-6,7,8-triméthoxy-1-(3,4,5-triméthoxyphényl)-1,2-dihydro-2,3-naphtalènedicarboxylate de diméthyle [French] [ACD/IUPAC Name]
2,3-Naphthalenedicarboxylic acid, 1,2-dihydro-4-hydroxy-6,7,8-trimethoxy-1-(3,4,5-trimethoxyphenyl)-, dimethyl ester, (1S,2S)- [ACD/Index Name]
Dimethyl (1S,2S)-4-hydroxy-6,7,8-trimethoxy-1-(3,4,5-trimethoxyphenyl)-1,2-dihydro-2,3-naphthalenedicarboxylate [ACD/IUPAC Name]
Dimethyl-(1S,2S)-4-hydroxy-6,7,8-trimethoxy-1-(3,4,5-trimethoxyphenyl)-1,2-dihydro-2,3-naphthalindicarboxylat [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: 612.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.6±3.0 kJ/mol
Flash Point: 198.3±25.0 °C
Index of Refraction: 1.557
Molar Refractivity: 130.6±0.3 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 3.39
ACD/LogD (pH 5.5): 1.72
ACD/BCF (pH 5.5): 6.73
ACD/KOC (pH 5.5): 68.99
ACD/LogD (pH 7.4): -0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.19
Polar Surface Area: 128 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 46.9±3.0 dyne/cm
Molar Volume: 406.0±3.0 cm3

Click to predict properties on the Chemicalize site


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