Found 2 results

Search term: VNDMYEXLVMONQH (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1S,4R,10S,12R,15S)-4-Isopropenyl-12-methyl-17-oxo-11,16,18,19-tetraoxapentacyclo[12.2.2.1~6,9~.0~1,15~.0~10,12~]nonadeca-6,8-diene-7-carbaldehyde | C20H22O6

(1S,4R,10S,12R,15S)-4-Isopropenyl-12-methyl-17-oxo-11,16,18,19-tetraoxapentacyclo[12.2.2.16,9.01,15.010,12]nonadeca-6,8-diene-7-carbaldehyde

  • Molecular FormulaC20H22O6
  • Average mass358.385 Da
  • Monoisotopic mass358.141632 Da
  • ChemSpider ID28282685

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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(1S,4R,10S,12R,15S)-4-Isopropenyl-12-methyl-17-oxo-11,16,18,19-tetraoxapentacyclo[12.2.2.16,9.01,15.010,12]nonadeca-6,8-dien-7-carbaldehyd [German] [ACD/IUPAC Name]
(1S,4R,10S,12R,15S)-4-Isopropenyl-12-methyl-17-oxo-11,16,18,19-tetraoxapentacyclo[12.2.2.16,9.01,15.010,12]nonadeca-6,8-diene-7-carbaldehyde [ACD/IUPAC Name]
(1S,4R,10S,12R,15S)-4-Isopropényl-12-méthyl-17-oxo-11,16,18,19-tétraoxapentacyclo[12.2.2.16,9.01,15.010,12]nonadéca-6,8-diène-7-carbaldéhyde [French] [ACD/IUPAC Name]
11,16,18,19-Tetraoxapentacyclo[12.2.2.16,9.01,15.010,12]nonadeca-6,8-diene-7-carboxaldehyde, 12-methyl-4-(1-methylethenyl)-17-oxo-, (1S,4R,10S,12R,15S)- [ACD/Index Name]
Leptolide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 547.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.6±3.0 kJ/mol
Flash Point: 284.7±30.1 °C
Index of Refraction: 1.587
Molar Refractivity: 90.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.55
ACD/LogD (pH 5.5): 1.78
ACD/BCF (pH 5.5): 13.28
ACD/KOC (pH 5.5): 221.60
ACD/LogD (pH 7.4): 1.78
ACD/BCF (pH 7.4): 13.28
ACD/KOC (pH 7.4): 221.60
Polar Surface Area: 82 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 52.5±5.0 dyne/cm
Molar Volume: 268.8±5.0 cm3

Click to predict properties on the Chemicalize site


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