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Search term: 62934190 (Found by CSID)
ChemSpider 2D Image | mangrovamide K | C15H16O6

mangrovamide K

  • Molecular FormulaC15H16O6
  • Average mass292.284 Da
  • Monoisotopic mass292.094696 Da
  • ChemSpider ID62934190

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,3S,4aR,9aR)-1,8,9a-Trihydroxy-3,4a-dimethyl-2,3,4a,9a-tetrahydro-1H-xanthen-4,9-dion [German] [ACD/IUPAC Name]
(1S,3S,4aR,9aR)-1,8,9a-Trihydroxy-3,4a-dimethyl-2,3,4a,9a-tetrahydro-1H-xanthene-4,9-dione [ACD/IUPAC Name]
(1S,3S,4aR,9aR)-1,8,9a-Trihydroxy-3,4a-diméthyl-2,3,4a,9a-tétrahydro-1H-xanthène-4,9-dione [French] [ACD/IUPAC Name]
1H-Xanthene-4,9-dione, 2,3,4a,9a-tetrahydro-1,8,9a-trihydroxy-3,4a-dimethyl-, (1S,3S,4aR,9aR)- [ACD/Index Name]
mangrovamide K

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

Density: 1.5±0.1 g/cm3
Boiling Point: 514.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.8±3.0 kJ/mol
Flash Point: 195.5±23.6 °C
Index of Refraction: 1.653
Molar Refractivity: 71.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.01
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 34.17
ACD/KOC (pH 5.5): 432.70
ACD/LogD (pH 7.4): 1.84
ACD/BCF (pH 7.4): 11.23
ACD/KOC (pH 7.4): 142.19
Polar Surface Area: 104 Å2
Polarizability: 28.2±0.5 10-24cm3
Surface Tension: 75.2±3.0 dyne/cm
Molar Volume: 194.2±3.0 cm3

Click to predict properties on the Chemicalize site


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