ChemSpider 2D Image | (3Z,5E,7R,8S,10R,13S,14S,15S,17S,20R,21S,22S)-22-[(2S,3Z)-3,5-Hexadien-2-yl]-8,10,14,20-tetrahydroxy-7,13,15,17,21-pentamethyloxacyclodocosa-3,5-dien-2-one | C32H54O6

(3Z,5E,7R,8S,10R,13S,14S,15S,17S,20R,21S,22S)-22-[(2S,3Z)-3,5-Hexadien-2-yl]-8,10,14,20-tetrahydroxy-7,13,15,17,21-pentamethyloxacyclodocosa-3,5-dien-2-one

  • Molecular FormulaC32H54O6
  • Average mass534.768 Da
  • Monoisotopic mass534.392029 Da
  • ChemSpider ID23314661
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 11 defined stereocentres


More details:






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

(3Z,5E,7R,8S,10R,13S,14S,15S,17S,20R,21S,22S)-22-[(2S,3Z)-3,5-Hexadien-2-yl]-8,10,14,20-tetrahydroxy-7,13,15,17,21-pentamethyloxacyclodocosa-3,5-dien-2-on [German] [ACD/IUPAC Name]
(3Z,5E,7R,8S,10R,13S,14S,15S,17S,20R,21S,22S)-22-[(2S,3Z)-3,5-Hexadien-2-yl]-8,10,14,20-tetrahydroxy-7,13,15,17,21-pentamethyloxacyclodocosa-3,5-dien-2-one [ACD/IUPAC Name]
(3Z,5E,7R,8S,10R,13S,14S,15S,17S,20R,21S,22S)-22-[(2S,3Z)-3,5-Hexadién-2-yl]-8,10,14,20-tétrahydroxy-7,13,15,17,21-pentaméthyloxacyclodocosa-3,5-dién-2-one [French] [ACD/IUPAC Name]
(3Z,5E,7R,8S,10R,13S,14S,15S,17S,20R,21S,22S)-22-[(2S,3Z)-hexa-3,5-dien-2-yl]-8,10,14,20-tetrahydroxy-7,13,15,17,21-pentamethyloxacyclodocosa-3,5-dien-2-one
Oxacyclodocosa-3,5-dien-2-one, 8,10,14,20-tetrahydroxy-7,13,15,17,21-pentamethyl-22-[(1S,2Z)-1-methyl-2,4-pentadien-1-yl]-, (3Z,5E,7R,8S,10R,13S,14S,15S,17S,20R,21S,22S)- [ACD/Index Name]
10,11-dihydrodictyostatin

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 700.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 117.1±6.0 kJ/mol
Flash Point: 214.7±25.0 °C
Index of Refraction: 1.484
Molar Refractivity: 155.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 5.57
ACD/LogD (pH 5.5): 5.16
ACD/BCF (pH 5.5): 4935.72
ACD/KOC (pH 5.5): 15321.21
ACD/LogD (pH 7.4): 5.16
ACD/BCF (pH 7.4): 4935.72
ACD/KOC (pH 7.4): 15321.21
Polar Surface Area: 107 Å2
Polarizability: 61.5±0.5 10-24cm3
Surface Tension: 33.5±3.0 dyne/cm
Molar Volume: 542.6±3.0 cm3

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