ChemSpider 2D Image | (1'R,2R,4'S,5S,6R,8'R,10'E,13'R,14'E,16'E,20'R,21'R,24'S)-24'-Hydroxy-22'-(hydroxymethyl)-21'-methoxy-5,6,11',13'-tetramethyl-3,4,5,6-tetrahydro-2'H-spiro[pyran-2,6'-[3,7,19]trioxatetracyclo[15.6.1.1~ 4,8~.0~20,24~]pentacosa[10,14,16,22]tetraen]-2'-one | C32H46O8

(1'R,2R,4'S,5S,6R,8'R,10'E,13'R,14'E,16'E,20'R,21'R,24'S)-24'-Hydroxy-22'-(hydroxymethyl)-21'-methoxy-5,6,11',13'-tetramethyl-3,4,5,6-tetrahydro-2'H-spiro[pyran-2,6'-[3,7,19]trioxatetracyclo[15.6.1.1 4,8.020,24]pentacosa[10,14,16,22]tetraen]-2'-one

  • Molecular FormulaC32H46O8
  • Average mass558.703 Da
  • Monoisotopic mass558.319275 Da
  • ChemSpider ID8968248

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1'R,2R,4'S,5S,6R,8'R,10'E,13'R,14'E,16'E,20'R,21'R,24'S)-24'-Hydroxy-22'-(hydroxymethyl)-21'-methoxy-5,6,11',13'-tetramethyl-3,4,5,6-tetrahydro-2'H-spiro[pyran-2,6'-[3,7,19]trioxatetracyclo[15.6.1.1 4,8.020,24]pentacosa[10,14,16,22]tetraen]-2'-one [ACD/IUPAC Name]
Milbemycin α24

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

Density: 1.2±0.1 g/cm3
Boiling Point: 745.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 124.0±6.0 kJ/mol
Flash Point: 236.8±26.4 °C
Index of Refraction: 1.573
Molar Refractivity: 150.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 5.97
ACD/LogD (pH 5.5): 5.39
ACD/BCF (pH 5.5): 7301.94
ACD/KOC (pH 5.5): 20278.71
ACD/LogD (pH 7.4): 5.39
ACD/BCF (pH 7.4): 7301.85
ACD/KOC (pH 7.4): 20278.44
Polar Surface Area: 104 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 50.8±5.0 dyne/cm
Molar Volume: 457.3±5.0 cm3

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