ChemSpider 2D Image | Dendronpholide P | C23H36O7

Dendronpholide P

  • Molecular FormulaC23H36O7
  • Average mass424.528 Da
  • Monoisotopic mass424.246094 Da
  • ChemSpider ID23342079

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

15-Oxabicyclo[10.2.1]pentadec-8-ene-5-acetic acid, 11-(acetyloxy)-2,7-dihydroxy-2,8,12-trimethyl-α-methylene-, methyl ester, (1S,2R,5R,7R,8E,11S,12R)- [ACD/Index Name]
2-[(1S,2R,5R,7R,8E,11S,12R)-11-Acétoxy-2,7-dihydroxy-2,8,12-triméthyl-15-oxabicyclo[10.2.1]pentadéc-8-én-5-yl]acrylate de méthyle [French] [ACD/IUPAC Name]
Dendronpholide P
Methyl 2-[(1S,2R,5R,7R,8E,11S,12R)-11-acetoxy-2,7-dihydroxy-2,8,12-trimethyl-15-oxabicyclo[10.2.1]pentadec-8-en-5-yl]acrylate [ACD/IUPAC Name]
Methyl-2-[(1S,2R,5R,7R,8E,11S,12R)-11-acetoxy-2,7-dihydroxy-2,8,12-trimethyl-15-oxabicyclo[10.2.1]pentadec-8-en-5-yl]acrylat [German] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL481701/
methyl 2-[(1S,2R,5R,7R,8E,11S,12R)-11-(acetyloxy)-2,7-dihydroxy-2,8,12-trimethyl-15-oxabicyclo[10.2.1]pentadec-8-en-5-yl]prop-2-enoate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 540.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.1±6.0 kJ/mol
Flash Point: 176.0±23.6 °C
Index of Refraction: 1.524
Molar Refractivity: 112.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.56
ACD/LogD (pH 5.5): 3.10
ACD/BCF (pH 5.5): 133.85
ACD/KOC (pH 5.5): 1158.32
ACD/LogD (pH 7.4): 3.10
ACD/BCF (pH 7.4): 133.85
ACD/KOC (pH 7.4): 1158.32
Polar Surface Area: 102 Å2
Polarizability: 44.5±0.5 10-24cm3
Surface Tension: 45.3±5.0 dyne/cm
Molar Volume: 366.8±5.0 cm3

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