ChemSpider 2D Image | (1'R,2R,4'S,5S,6R,8'R,10'Z,12'S,13'S,14'Z,16'Z,20'R,21'R,24'S)-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[10,14,16,22]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

(1'R,2R,4'S,5S,6R,8'R,10'Z,12'S,13'S,14'Z,16'Z,20'R,21'R,24'S)-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[10,14,16,22]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 ID4952964
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 20 of 20 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'Z,12'S,13'S,14'Z,16'Z,20'R,21'R,24'S)-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[10,14,16,22]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]
123997-59-1 [RN]
123997-64-8 [RN]
22,23-dihydroavermectin B1a
5-O-demethyl-22,23-dihydro-avermectin A1a
70161-11-4 [RN]
70288-86-7 [RN]
71827-03-7 [RN]
Dihydroavermectin B1a
Ivermectin [INN] [Wiki]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

ro 5-2807 [DBID]
UNII:91Y2202OUW [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 940.4±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 155.2±6.0 kJ/mol
    Flash Point: 267.3±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: 6.61
    ACD/LogD (pH 5.5): 6.21
    ACD/BCF (pH 5.5): 30848.05
    ACD/KOC (pH 5.5): 56881.81
    ACD/LogD (pH 7.4): 6.21
    ACD/BCF (pH 7.4): 30847.61
    ACD/KOC (pH 7.4): 56881.00
    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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