ChemSpider 2D Image | Avermectin A1b | C48H72O14

Avermectin A1b

  • Molecular FormulaC48H72O14
  • Average mass873.077 Da
  • Monoisotopic mass872.492188 Da
  • ChemSpider ID8116543

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 19 of 19 defined stereocentres

More details:

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

(1'R,2S,4'S,5S,6R,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-24'-Hydroxy-6-isopropyl-21'-methoxy-5,11',13',22'-tetramethyl-2'-oxo-5,6-dihydrospiro[pyran-2,6'-[3,7,19]trioxatetracyclo[15.6.1.14,8.0 20,24]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]
65195-52-0 [RN]
Avermectin A1b

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

C11968 [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: 920.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 152.0±6.0 kJ/mol
Flash Point: 261.3±27.8 °C
Index of Refraction: 1.563
Molar Refractivity: 230.8±0.4 cm3
#H bond acceptors: 14
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 6.49
ACD/LogD (pH 5.5): 6.09
ACD/BCF (pH 5.5): 25241.12
ACD/KOC (pH 5.5): 49273.63
ACD/LogD (pH 7.4): 6.09
ACD/BCF (pH 7.4): 25240.82
ACD/KOC (pH 7.4): 49273.04
Polar Surface Area: 159 Å2
Polarizability: 91.5±0.5 10-24cm3
Surface Tension: 50.4±5.0 dyne/cm
Molar Volume: 710.4±5.0 cm3

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