ChemSpider 2D Image | (2R,4'S,5S,6R,8'R,10'E,13'R,14'E,16'E,20'R,21'Z,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[15.6.1.1~4,8~.0~
20,24~]pentacosa[10,14,16,22]tetraen]-2'-one | C32H45NO7

(2R,4'S,5S,6R,8'R,10'E,13'R,14'E,16'E,20'R,21'Z,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[15.6.1.14,8.0 20,24]pentacosa[10,14,16,22]tetraen]-2'-one

  • Molecular FormulaC32H45NO7
  • Average mass555.702 Da
  • Monoisotopic mass555.319580 Da
  • ChemSpider ID7850037
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 9 defined stereocentres


More details:






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

(2R,4'S,5S,6R,8'R,10'E,13'R,14'E,16'E,20'R,21'Z,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[15.6.1.14,8.0 20,24]pentacosa[10,14,16,22]tetraen]-2'-one [ACD/IUPAC Name]
(3S,10S,30S,12R,19R)-2-Ethyl-30-hydroxy-27-(hydroxyimino)-3,17,19,28-tetramethyl-9,13,25-trioxaspiro[2H-3,4,5,6-tetrahydropyran-6,6'-tetracyclo[15.6.1.1<4,8>.0<20,24>]pentacosane]a-16,20,22,28-tetraen-8-one
Milbemycin K Oxime

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

AIDS111875 [DBID]
AIDS-111875 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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): 33045.77
ACD/KOC (pH 5.5): 59753.77
ACD/LogD (pH 7.4): 6.25
ACD/BCF (pH 7.4): 33003.82
ACD/KOC (pH 7.4): 59677.91
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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