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Search term: DATA_SOURCE in ('Colin Batchelor')
ChemSpider 2D Image | sonneratine A | C26H33NO4

sonneratine A

  • Molecular FormulaC26H33NO4
  • Average mass423.544 Da
  • Monoisotopic mass423.240967 Da
  • ChemSpider ID26324639

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

2-Butanone, 4-(4-hydroxyphenyl)-1-[(2R,6S)-6-[4-(4-methoxyphenyl)-2-oxobutyl]-2-piperidinyl]- [ACD/Index Name]
4-(4-Hydroxyphenyl)-1-{(2R,6S)-6-[4-(4-methoxyphenyl)-2-oxobutyl]-2-piperidinyl}-2-butanon [German] [ACD/IUPAC Name]
4-(4-Hydroxyphenyl)-1-{(2R,6S)-6-[4-(4-methoxyphenyl)-2-oxobutyl]-2-piperidinyl}-2-butanone [ACD/IUPAC Name]
4-(4-Hydroxyphényl)-1-{(2R,6S)-6-[4-(4-méthoxyphényl)-2-oxobutyl]-2-pipéridinyl}-2-butanone [French] [ACD/IUPAC Name]
sonneratine A

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

Density: 1.1±0.1 g/cm3
Boiling Point: 568.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.5±3.0 kJ/mol
Flash Point: 297.7±28.7 °C
Index of Refraction: 1.548
Molar Refractivity: 121.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 2.81
ACD/LogD (pH 5.5): 0.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.71
ACD/LogD (pH 7.4): 1.73
ACD/BCF (pH 7.4): 5.05
ACD/KOC (pH 7.4): 39.05
Polar Surface Area: 76 Å2
Polarizability: 48.0±0.5 10-24cm3
Surface Tension: 44.6±3.0 dyne/cm
Molar Volume: 381.7±3.0 cm3

Click to predict properties on the Chemicalize site


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