Found 1 result

Search term: 78439193 (Found by CSID)
ChemSpider 2D Image | (4R,4aR,9aR)-4,8,9a-Trihydroxy-3-methoxy-4a,6-dimethyl-4a,9a-dihydro-1H-xanthene-1,9(4H)-dione | C16H16O7

(4R,4aR,9aR)-4,8,9a-Trihydroxy-3-methoxy-4a,6-dimethyl-4a,9a-dihydro-1H-xanthene-1,9(4H)-dione

  • Molecular FormulaC16H16O7
  • Average mass320.294 Da
  • Monoisotopic mass320.089600 Da
  • ChemSpider ID78439193

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4R,4aR,9aR)-4,8,9a-Trihydroxy-3-methoxy-4a,6-dimethyl-4a,9a-dihydro-1H-xanthen-1,9(4H)-dion [German] [ACD/IUPAC Name]
(4R,4aR,9aR)-4,8,9a-Trihydroxy-3-methoxy-4a,6-dimethyl-4a,9a-dihydro-1H-xanthene-1,9(4H)-dione [ACD/IUPAC Name]
(4R,4aR,9aR)-4,8,9a-Trihydroxy-3-méthoxy-4a,6-diméthyl-4a,9a-dihydro-1H-xanthène-1,9(4H)-dione [French] [ACD/IUPAC Name]
1H-Xanthene-1,9(4H)-dione, 4a,9a-dihydro-4,8,9a-trihydroxy-3-methoxy-4a,6-dimethyl-, (4R,4aR,9aR)- [ACD/Index Name]
Blennolide M

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

Density: 1.5±0.1 g/cm3
Boiling Point: 632.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.3±3.0 kJ/mol
Flash Point: 238.7±25.0 °C
Index of Refraction: 1.660
Molar Refractivity: 76.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.57
ACD/LogD (pH 5.5): 2.75
ACD/BCF (pH 5.5): 71.53
ACD/KOC (pH 5.5): 734.24
ACD/LogD (pH 7.4): 2.26
ACD/BCF (pH 7.4): 23.32
ACD/KOC (pH 7.4): 239.33
Polar Surface Area: 113 Å2
Polarizability: 30.5±0.5 10-24cm3
Surface Tension: 76.6±5.0 dyne/cm
Molar Volume: 208.4±5.0 cm3

Click to predict properties on the Chemicalize site


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