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Search term: 61708440 (Found by CSID)
ChemSpider 2D Image | malletenin E | C16H20O5

malletenin E

  • Molecular FormulaC16H20O5
  • Average mass292.327 Da
  • Monoisotopic mass292.131073 Da
  • ChemSpider ID61708440

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2R,3R,3'S,4'R)-3',8-Dihydroxy-3,4',5-trimethyl-3,4,4',5'-tetrahydro-3'H,7H-spiro[cyclohepta[b]pyran-2,2'-furan]-7-one [ACD/IUPAC Name]
malletenin E
Spiro[cyclohepta[b]pyran-2(7H),2'(3'H)-furan]-7-one, 3,4,4',5'-tetrahydro-3',8-dihydroxy-3,4',5-trimethyl-, (2R,3R,3'S,4'R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 533.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.1±6.0 kJ/mol
Flash Point: 199.9±23.6 °C
Index of Refraction: 1.595
Molar Refractivity: 75.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.39
ACD/LogD (pH 5.5): 0.87
ACD/BCF (pH 5.5): 2.69
ACD/KOC (pH 5.5): 70.61
ACD/LogD (pH 7.4): 0.85
ACD/BCF (pH 7.4): 2.56
ACD/KOC (pH 7.4): 67.16
Polar Surface Area: 76 Å2
Polarizability: 29.9±0.5 10-24cm3
Surface Tension: 53.6±5.0 dyne/cm
Molar Volume: 221.8±5.0 cm3

Click to predict properties on the Chemicalize site


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