ChemSpider 2D Image | Dimethyl (1S,2R,6aR,11bR,11cS)-6,6a,9,10-tetrakis(methoxymethoxy)-4-oxo-1,2,4,6a,11b,11c-hexahydrobenzo[kl]xanthene-1,2-dicarboxylate | C28H34O14

Dimethyl (1S,2R,6aR,11bR,11cS)-6,6a,9,10-tetrakis(methoxymethoxy)-4-oxo-1,2,4,6a,11b,11c-hexahydrobenzo[kl]xanthene-1,2-dicarboxylate

  • Molecular FormulaC28H34O14
  • Average mass594.561 Da
  • Monoisotopic mass594.194885 Da
  • ChemSpider ID8161513

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S,2R,6aR,11bR,11cS)-6,6a,9,10-Tétrakis(méthoxyméthoxy)-4-oxo-1,2,4,6a,11b,11c-hexahydrobenzo[kl]xanthène-1,2-dicarboxylate de diméthyle [French] [ACD/IUPAC Name]
Benzo[kl]xanthene-1,2-dicarboxylic acid, 1,2,4,6a,11b,11c-hexahydro-6,6a,9,10-tetrakis(methoxymethoxy)-4-oxo-, dimethyl ester, (1S,2R,6aR,11bR,11cS)- [ACD/Index Name]
Dimethyl (1S,2R,6aR,11bR,11cS)-6,6a,9,10-tetrakis(methoxymethoxy)-4-oxo-1,2,4,6a,11b,11c-hexahydrobenzo[kl]xanthene-1,2-dicarboxylate [ACD/IUPAC Name]
Dimethyl-(1S,2R,6aR,11bR,11cS)-6,6a,9,10-tetrakis(methoxymethoxy)-4-oxo-1,2,4,6a,11b,11c-hexahydrobenzo[kl]xanthen-1,2-dicarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 690.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.2±3.0 kJ/mol
Flash Point: 288.9±31.5 °C
Index of Refraction: 1.561
Molar Refractivity: 141.3±0.4 cm3
#H bond acceptors: 14
#H bond donors: 0
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 2.25
ACD/LogD (pH 5.5): 2.13
ACD/BCF (pH 5.5): 24.52
ACD/KOC (pH 5.5): 343.77
ACD/LogD (pH 7.4): 2.13
ACD/BCF (pH 7.4): 24.52
ACD/KOC (pH 7.4): 343.77
Polar Surface Area: 153 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 54.6±5.0 dyne/cm
Molar Volume: 436.4±5.0 cm3

Click to predict properties on the Chemicalize site


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