ChemSpider 2D Image | Selamectin | C43H63NO11

Selamectin

  • Molecular FormulaC43H63NO11
  • Average mass769.960 Da
  • Monoisotopic mass769.440125 Da
  • ChemSpider ID16738655
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 14 of 14 defined stereocentres


More details:



Featured data source



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(1'R,2R,4'S,5S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'Z,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]
(1'R,2R,4'S,5S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'Z,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
(1'R,2R,4'S,5S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'Z,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
(2aE,4E,5'S,6S,6'S,7S,8E,11R,13R,15S,17aR,20Z,20aR,20bS)-6'-cyclohexyl-20b-hydroxy-20-(hydroxyimino)-5',6,8,19-tetramethyl-17-oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-3-O-methyl-α-L-arabino-hexopyranoside
220119-17-5 [RN]
7888
A2669OWX9N
Revolution [Trade name]
selamectina [Spanish] [INN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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): 51660.45
ACD/KOC (pH 5.5): 82273.20
ACD/LogD (pH 7.4): 6.50
ACD/BCF (pH 7.4): 51592.48
ACD/KOC (pH 7.4): 82164.97
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

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