Found 15 results

Search term: MF = 'C_{36}H_{50}O_{14}'
ChemSpider 2D Image | (2R,3R,4R,4aS,10bS)-3,4,10-Triacetoxy-2-(acetoxymethyl)-9-methoxy-6-oxo-2,3,4,4a,6,10b-hexahydropyrano[3,2-c]isochromen-8-yl myristate | C36H50O14

(2R,3R,4R,4aS,10bS)-3,4,10-Triacetoxy-2-(acetoxymethyl)-9-methoxy-6-oxo-2,3,4,4a,6,10b-hexahydropyrano[3,2-c]isochromen-8-yl myristate

  • Molecular FormulaC36H50O14
  • Average mass706.774 Da
  • Monoisotopic mass706.320068 Da
  • ChemSpider ID26341034

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2R,3R,4R,4aS,10bS)-3,4,10-Triacetoxy-2-(acetoxymethyl)-9-methoxy-6-oxo-2,3,4,4a,6,10b-hexahydropyrano[3,2-c]isochromen-8-yl myristate [ACD/IUPAC Name]
(2R,3R,4R,4aS,10bS)-3,4,10-Triacetoxy-2-(acetoxymethyl)-9-methoxy-6-oxo-2,3,4,4a,6,10b-hexahydropyrano[3,2-c]isochromen-8-ylmyristat [German] [ACD/IUPAC Name]
Myristate de (2R,3R,4R,4aS,10bS)-3,4,10-triacétoxy-2-(acétoxyméthyl)-9-méthoxy-6-oxo-2,3,4,4a,6,10b-hexahydropyrano[3,2-c]isochromén-8-yle [French] [ACD/IUPAC Name]
Tetradecanoic acid, (2R,3R,4R,4aS,10bS)-3,4,10-tris(acetyloxy)-2-[(acetyloxy)methyl]-2,3,4,4a,6,10b-hexahydro-9-methoxy-6-oxopyrano[3,2-c][2]benzopyran-8-yl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 699.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.4±3.0 kJ/mol
Flash Point: 281.8±31.5 °C
Index of Refraction: 1.531
Molar Refractivity: 176.1±0.4 cm3
#H bond acceptors: 14
#H bond donors: 0
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 3
ACD/LogP: 7.14
ACD/LogD (pH 5.5): 7.98
ACD/BCF (pH 5.5): 686870.63
ACD/KOC (pH 5.5): 524330.88
ACD/LogD (pH 7.4): 7.98
ACD/BCF (pH 7.4): 686870.63
ACD/KOC (pH 7.4): 524330.88
Polar Surface Area: 176 Å2
Polarizability: 69.8±0.5 10-24cm3
Surface Tension: 51.3±5.0 dyne/cm
Molar Volume: 569.2±5.0 cm3

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