ChemSpider 2D Image | (5E,7R,8S,10S,11Z,13S,14R,15S,17S,20R,21S,22S)-22-[(2S,3Z)-3,5-Hexadien-2-yl]-8,10,14,20-tetrahydroxy-7,13,15,17,21-pentamethyloxacyclodocosa-5,11-dien-2-one | C32H54O6

(5E,7R,8S,10S,11Z,13S,14R,15S,17S,20R,21S,22S)-22-[(2S,3Z)-3,5-Hexadien-2-yl]-8,10,14,20-tetrahydroxy-7,13,15,17,21-pentamethyloxacyclodocosa-5,11-dien-2-one

  • Molecular FormulaC32H54O6
  • Average mass534.768 Da
  • Monoisotopic mass534.392029 Da
  • ChemSpider ID23332187

  • 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

(5E,7R,8S,10S,11Z,13S,14R,15S,17S,20R,21S,22S)-22-[(2S,3Z)-3,5-Hexadien-2-yl]-8,10,14,20-tetrahydroxy-7,13,15,17,21-pentamethyloxacyclodocosa-5,11-dien-2-on [German] [ACD/IUPAC Name]
(5E,7R,8S,10S,11Z,13S,14R,15S,17S,20R,21S,22S)-22-[(2S,3Z)-3,5-Hexadien-2-yl]-8,10,14,20-tetrahydroxy-7,13,15,17,21-pentamethyloxacyclodocosa-5,11-dien-2-one [ACD/IUPAC Name]
(5E,7R,8S,10S,11Z,13S,14R,15S,17S,20R,21S,22S)-22-[(2S,3Z)-3,5-Hexadién-2-yl]-8,10,14,20-tétrahydroxy-7,13,15,17,21-pentaméthyloxacyclodocosa-5,11-dién-2-one [French] [ACD/IUPAC Name]
Oxacyclodocosa-5,11-dien-2-one, 8,10,14,20-tetrahydroxy-7,13,15,17,21-pentamethyl-22-[(1S,2Z)-1-methyl-2,4-pentadien-1-yl]-, (5E,7R,8S,10S,11Z,13S,14R,15S,17S,20R,21S,22S)- [ACD/Index Name]
(5E,7R,8S,10S,11Z,13S,14R,15S,17S,20R,21S,22S)-22-[(2S,3Z)-hexa-3,5-dien-2-yl]-8,10,14,20-tetrahydroxy-7,13,15,17,21-pentamethyl-1-oxacyclodocosa-5,11-dien-2-one
(5E,7R,8S,10S,11Z,13S,14R,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-5,11-dien-2-one
2,3-dihydrodictyostatin
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL459221/

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

Density: 1.0±0.1 g/cm3
Boiling Point: 692.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 116.0±6.0 kJ/mol
Flash Point: 211.8±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: 5.38
ACD/LogD (pH 5.5): 5.01
ACD/BCF (pH 5.5): 3803.58
ACD/KOC (pH 5.5): 12714.40
ACD/LogD (pH 7.4): 5.01
ACD/BCF (pH 7.4): 3803.58
ACD/KOC (pH 7.4): 12714.40
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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