ChemSpider 2D Image | Methyl (2Z)-2-[hydroxy(methoxy)methylene]-6,6a,9,10-tetrakis(methoxymethoxy)-4-oxo-1,2,4,6a,11b,11c-hexahydrobenzo[kl]xanthene-1-carboxylate | C28H34O14

Methyl (2Z)-2-[hydroxy(methoxy)methylene]-6,6a,9,10-tetrakis(methoxymethoxy)-4-oxo-1,2,4,6a,11b,11c-hexahydrobenzo[kl]xanthene-1-carboxylate

  • Molecular FormulaC28H34O14
  • Average mass594.561 Da
  • Monoisotopic mass594.194885 Da
  • ChemSpider ID8206968
  • Double-bond stereo - Double-bond stereo


More details:






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

(2Z)-2-[Hydroxy(méthoxy)méthylène]-6,6a,9,10-tétrakis(méthoxyméthoxy)-4-oxo-1,2,4,6a,11b,11c-hexahydrobenzo[kl]xanthène-1-carboxylate de méthyle [French] [ACD/IUPAC Name]
Benzo[kl]xanthene-1-carboxylic acid, 1,2,4,6a,11b,11c-hexahydro-2-(hydroxymethoxymethylene)-6,6a,9,10-tetrakis(methoxymethoxy)-4-oxo-, methyl ester, (2Z)- [ACD/Index Name]
Methyl (2Z)-2-[hydroxy(methoxy)methylene]-6,6a,9,10-tetrakis(methoxymethoxy)-4-oxo-1,2,4,6a,11b,11c-hexahydrobenzo[kl]xanthene-1-carboxylate [ACD/IUPAC Name]
Methyl-(2Z)-2-[hydroxy(methoxy)methylen]-6,6a,9,10-tetrakis(methoxymethoxy)-4-oxo-1,2,4,6a,11b,11c-hexahydrobenzo[kl]xanthen-1-carboxylat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 692.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.6±3.0 kJ/mol
Flash Point: 221.7±25.0 °C
Index of Refraction: 1.576
Molar Refractivity: 142.2±0.4 cm3
#H bond acceptors: 14
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 2.28
ACD/LogD (pH 5.5): 0.81
ACD/BCF (pH 5.5): 1.38
ACD/KOC (pH 5.5): 22.13
ACD/LogD (pH 7.4): -0.95
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 156 Å2
Polarizability: 56.4±0.5 10-24cm3
Surface Tension: 57.2±5.0 dyne/cm
Molar Volume: 429.3±5.0 cm3

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