ChemSpider 2D Image | (1'R,2R,4'S,5S,6S,8'R,10'Z,12'S,13'S,14'Z,20'R,21'E,24'S)-6-Cyclohexyl-24'-hydroxy-21'-(hydroxyimino)-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-3-O-methyl-alpha-L-arabino-hexopyranoside | C43H63NO11

(1'R,2R,4'S,5S,6S,8'R,10'Z,12'S,13'S,14'Z,20'R,21'E,24'S)-6-Cyclohexyl-24'-hydroxy-21'-(hydroxyimino)-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-3-O-methyl-α-L-arabino-hexopyranoside

  • Molecular FormulaC43H63NO11
  • Average mass769.960 Da
  • Monoisotopic mass769.440125 Da
  • ChemSpider ID52563313

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(1'R,2R,4'S,5S,6S,8'R,10'Z,12'S,13'S,14'Z,20'R,21'E,24'S)-6-Cyclohexyl-24'-hydroxy-21'-(hydroxyimino)-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-3-O-methyl-α-L-arabino-hexopyranoside [ACD/IUPAC Name]
(1R,4S,5'S,6R,6'S,8R,10Z,12S,13S,14Z,20R,21E,24S)-6'-cyclohexyl-24-hydroxy-21-hydroxyimino-12-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one
165108-07-6 [RN]
220119-17-5 [RN]
MFCD09837837
Selamectin [BAN] [INN] [USAN] [Wiki]
SelaMeerin
UK-124114

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 917.0±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 151.4±6.0 kJ/mol
    Flash Point: 508.4±34.3 °C
    Index of Refraction: 1.618
    Molar Refractivity: 199.0±0.5 cm3
    #H bond acceptors: 12
    #H bond donors: 3
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 3
    ACD/LogP: 6.83
    ACD/LogD (pH 5.5): 6.50
    ACD/BCF (pH 5.5): 51660.05
    ACD/KOC (pH 5.5): 82272.57
    ACD/LogD (pH 7.4): 6.50
    ACD/BCF (pH 7.4): 51561.73
    ACD/KOC (pH 7.4): 82115.99
    Polar Surface Area: 155 Å2
    Polarizability: 78.9±0.5 10-24cm3
    Surface Tension: 47.7±7.0 dyne/cm
    Molar Volume: 567.9±7.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement