ChemSpider 2D Image | dictyostatin | C32H52O6

dictyostatin

  • Molecular FormulaC32H52O6
  • Average mass532.752 Da
  • Monoisotopic mass532.376404 Da
  • ChemSpider ID9528034

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 11 defined stereocentres

More details:

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(-)-dictyostatin
(3Z,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-3,5,11-trien-2-on [German] [ACD/IUPAC Name]
(3Z,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-3,5,11-trien-2-one [ACD/IUPAC Name]
(3Z,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-3,5,11-trién-2-one [French] [ACD/IUPAC Name]
(3Z,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-3,5,11-trien-2-one
dictyostatin
Oxacyclodocosa-3,5,11-trien-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,10S,11Z,13S,14R,15S,17S,20R,21S,22S)- [ACD/Index Name]
(3Z,5E,11Z)-(7R,8S,10S,13S,14R,15S,17S,20R,21S,22S)-8,10,14,20-tetrahydroxy-7,13,15,17,21-pentamethyl-22-((Z)-(S)-1-methyl-penta-2,4-dienyl)-oxacyclodocosa-3,5,11-trien-2-one

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

Density: 1.0±0.1 g/cm3
Boiling Point: 703.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 117.7±6.0 kJ/mol
Flash Point: 216.8±26.4 °C
Index of Refraction: 1.490
Molar Refractivity: 154.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 5.34
ACD/LogD (pH 5.5): 4.86
ACD/BCF (pH 5.5): 2914.37
ACD/KOC (pH 5.5): 10507.92
ACD/LogD (pH 7.4): 4.86
ACD/BCF (pH 7.4): 2914.37
ACD/KOC (pH 7.4): 10507.92
Polar Surface Area: 107 Å2
Polarizability: 61.4±0.5 10-24cm3
Surface Tension: 33.9±3.0 dyne/cm
Molar Volume: 535.9±3.0 cm3

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