ChemSpider 2D Image | (1R,4Z,5'S,6S,6'S,7R,8S,10R,11R,12S,14R,15S,16R,18Z,20Z,22R,25S,27R,28S)-22-Ethyl-7,11,14,15-tetrahydroxy-6'-[(2R)-2-hydroxypropyl]-5',6,8,10,12,14,16,28,29-nonamethyl-3',4',5',6'-tetrahydro-3H,9H,13H -spiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2'-pyran]-3,9,13-trione | C45H74O11

(1R,4Z,5'S,6S,6'S,7R,8S,10R,11R,12S,14R,15S,16R,18Z,20Z,22R,25S,27R,28S)-22-Ethyl-7,11,14,15-tetrahydroxy-6'-[(2R)-2-hydroxypropyl]-5',6,8,10,12,14,16,28,29-nonamethyl-3',4',5',6'-tetrahydro-3H,9H,13H -spiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2'-pyran]-3,9,13-trione

  • Molecular FormulaC45H74O11
  • Average mass791.063 Da
  • Monoisotopic mass790.523132 Da
  • ChemSpider ID46759546

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 17 of 18 defined stereocentres

More details:

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

(1R,4Z,5'S,6S,6'S,7R,8S,10R,11R,12S,14R,15S,16R,18Z,20Z,22R,25S,27R,28S)-22-Ethyl-7,11,14,15-tetrahydroxy-6'-[(2R)-2-hydroxypropyl]-5',6,8,10,12,14,16,28,29-nonamethyl-3',4',5',6'-tetrahydro-3H,9H,13H -spiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2'-pyran]-3,9,13-trione [ACD/IUPAC Name]
Spiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2'-[2H]pyran]-3,9,13-trione, 22-ethyl-3',4',5',6'-tetrahydro-7,11,14,15-tetrahydroxy-6'-[(2R)-2-hydroxypropyl]-5',6,8,10,12,14,16,28,29-noname thyl-, (1R,4Z,5'S,6S,6'S,7R,8S,10R,11R,12S,14R,15S,16R,18Z,20Z,22R,25S,27R,28S)- [ACD/Index Name]
579-13-5 [RN]
Oligomycin 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: 886.3±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 146.3±6.0 kJ/mol
    Flash Point: 252.0±27.8 °C
    Index of Refraction: 1.543
    Molar Refractivity: 216.9±0.4 cm3
    #H bond acceptors: 11
    #H bond donors: 5
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 4
    ACD/LogP: 6.17
    ACD/LogD (pH 5.5): 5.64
    ACD/BCF (pH 5.5): 11382.11
    ACD/KOC (pH 5.5): 27863.36
    ACD/LogD (pH 7.4): 5.64
    ACD/BCF (pH 7.4): 11382.00
    ACD/KOC (pH 7.4): 27863.09
    Polar Surface Area: 180 Å2
    Polarizability: 86.0±0.5 10-24cm3
    Surface Tension: 49.9±5.0 dyne/cm
    Molar Volume: 688.2±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement