ChemSpider 2D Image | Milbemycin A4 oxime | C32H45NO7

Milbemycin A4 oxime

  • Molecular FormulaC32H45NO7
  • Average mass555.702 Da
  • Monoisotopic mass555.319580 Da
  • ChemSpider ID73962420

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 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'E,24'S)-6-Ethyl-24'-hydroxy-21'-(hydroxyimino)-5,11',13',22'-tetramethyl-3,4,5,6-tetrahydro-2'H-spiro[pyran-2,6'-[3,7,19]trioxatetracyclo[15.6.1.14,8 .020,24]pentacosa[10,14,16,22]tetraen]-2'-one [ACD/IUPAC Name]
93074-04-5 [RN]
Milbemycin A4 oxime

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

Density: 1.3±0.1 g/cm3
Boiling Point: 758.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 126.0±6.0 kJ/mol
Flash Point: 412.3±32.9 °C
Index of Refraction: 1.602
Molar Refractivity: 148.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: 6.75
ACD/LogD (pH 5.5): 6.25
ACD/BCF (pH 5.5): 33045.55
ACD/KOC (pH 5.5): 59753.37
ACD/LogD (pH 7.4): 6.25
ACD/BCF (pH 7.4): 32984.80
ACD/KOC (pH 7.4): 59643.52
Polar Surface Area: 107 Å2
Polarizability: 58.9±0.5 10-24cm3
Surface Tension: 44.9±7.0 dyne/cm
Molar Volume: 433.2±7.0 cm3

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