ChemSpider 2D Image | (1'R,2S,4R,4'S,5S,8'R,10'E,13'S,14'E,16'E,20'R,24'S)-12',24'-Dihydroxy-4-isopropyl-5,11',13',22'-tetramethyl-2'-oxo-3,4,5,6-tetrahydrospiro[pyran-2,6'-[3,7,19]trioxatetracyclo[15.6.1.1~4,8~.0~20,24~]p entacosa[10,14,16,22]tetraene]-23'-carbonitrile | C34H47NO7

(1'R,2S,4R,4'S,5S,8'R,10'E,13'S,14'E,16'E,20'R,24'S)-12',24'-Dihydroxy-4-isopropyl-5,11',13',22'-tetramethyl-2'-oxo-3,4,5,6-tetrahydrospiro[pyran-2,6'-[3,7,19]trioxatetracyclo[15.6.1.14,8.020,24]p entacosa[10,14,16,22]tetraene]-23'-carbonitrile

  • Molecular FormulaC34H47NO7
  • Average mass581.740 Da
  • Monoisotopic mass581.335266 Da
  • ChemSpider ID7984169

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(1'R,2S,4R,4'S,5S,8'R,10'E,13'S,14'E,16'E,20'R,24'S)-12',24'-Dihydroxy-4-isopropyl-5,11',13',22'-tetramethyl-2'-oxo-3,4,5,6-tetrahydrospiro[pyran-2,6'-[3,7,19]trioxatetracyclo[15.6.1.14,8.020,24]p entacosa[10,14,16,22]tetraene]-23'-carbonitrile [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 781.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.1 mmHg at 25°C
Enthalpy of Vaporization: 129.6±6.0 kJ/mol
Flash Point: 426.6±32.9 °C
Index of Refraction: 1.576
Molar Refractivity: 157.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 5.60
ACD/LogD (pH 5.5): 5.69
ACD/BCF (pH 5.5): 12386.70
ACD/KOC (pH 5.5): 29602.33
ACD/LogD (pH 7.4): 5.69
ACD/BCF (pH 7.4): 12386.39
ACD/KOC (pH 7.4): 29601.58
Polar Surface Area: 118 Å2
Polarizability: 62.6±0.5 10-24cm3
Surface Tension: 52.4±5.0 dyne/cm
Molar Volume: 477.4±5.0 cm3

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