ChemSpider 2D Image | (2R,4'S,5S,6R,8'R,10'Z,12'S,13'S,14'Z,16'Z,20'R,21'R,24'R)-6-[(2S)-2-Butanyl]-21',24'-dihydroxy-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~]pentacosa[1(23),10,14,16]tetraen]-12'-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside | C48H74O14

(2R,4'S,5S,6R,8'R,10'Z,12'S,13'S,14'Z,16'Z,20'R,21'R,24'R)-6-[(2S)-2-Butanyl]-21',24'-dihydroxy-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]pentacosa[1(23),10,14,16]tetraen]-12'-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-α-L-arabino-hexopyranosyl)-3-O-methyl-α-L-arabino-hexopyranoside

  • Molecular FormulaC48H74O14
  • Average mass875.093 Da
  • Monoisotopic mass874.507874 Da
  • ChemSpider ID64849321
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 19 of 20 defined stereocentres


More details:






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

(2R,4'S,5S,6R,8'R,10'Z,12'S,13'S,14'Z,16'Z,20'R,21'R,24'R)-6-[(2S)-2-Butanyl]-21',24'-dihydroxy-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]pentacosa[1(23),10,14,16]tetraen]-12'-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-α-L-arabino-hexopyranosyl)-3-O-methyl-α-L-arabino-hexopyranoside [ACD/IUPAC Name]
1135339-49-9 [RN]
2,3-dehydro-3,4-dihydro ivermectin (mixture of diastereomers)
ivermectin b1a, δ2-
rac-2,3-Dehydro-3,4-dihydro IverMectin

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 949.0±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 156.7±6.0 kJ/mol
    Flash Point: 270.1±27.8 °C
    Index of Refraction: 1.565
    Molar Refractivity: 230.7±0.4 cm3
    #H bond acceptors: 14
    #H bond donors: 3
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 3
    ACD/LogP: 6.87
    ACD/LogD (pH 5.5): 6.22
    ACD/BCF (pH 5.5): 31474.00
    ACD/KOC (pH 5.5): 57705.68
    ACD/LogD (pH 7.4): 6.22
    ACD/BCF (pH 7.4): 31472.76
    ACD/KOC (pH 7.4): 57703.40
    Polar Surface Area: 170 Å2
    Polarizability: 91.5±0.5 10-24cm3
    Surface Tension: 51.9±5.0 dyne/cm
    Molar Volume: 708.4±5.0 cm3

    Click to predict properties on the Chemicalize site






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