ChemSpider 2D Image | chaxalactin A, (rel)- | C28H40O4

chaxalactin A, (rel)-

  • Molecular FormulaC28H40O4
  • Average mass440.615 Da
  • Monoisotopic mass440.292664 Da
  • ChemSpider ID28482708

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3E,5E,7E,9R,11E,13S,14R,16R,17Z,19E,22R)-22-[(1E)-1-Buten-1-yl]-14,16-dihydroxy-5,9,13-trimethyloxacyclodocosa-3,5,7,11,17,19-hexaen-2-on [German] [ACD/IUPAC Name]
(3E,5E,7E,9R,11E,13S,14R,16R,17Z,19E,22R)-22-[(1E)-1-Buten-1-yl]-14,16-dihydroxy-5,9,13-trimethyloxacyclodocosa-3,5,7,11,17,19-hexaen-2-one [ACD/IUPAC Name]
(3E,5E,7E,9R,11E,13S,14R,16R,17Z,19E,22R)-22-[(1E)-1-Butén-1-yl]-14,16-dihydroxy-5,9,13-triméthyloxacyclodocosa-3,5,7,11,17,19-hexaén-2-one [French] [ACD/IUPAC Name]
chaxalactin A, (rel)-
Oxacyclodocosa-3,5,7,11,17,19-hexaen-2-one, 22-[(1E)-1-buten-1-yl]-14,16-dihydroxy-5,9,13-trimethyl-, (3E,5E,7E,9R,11E,13S,14R,16R,17Z,19E,22R)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 628.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 106.5±6.0 kJ/mol
Flash Point: 201.8±25.0 °C
Index of Refraction: 1.518
Molar Refractivity: 133.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 6.45
ACD/LogD (pH 5.5): 5.27
ACD/BCF (pH 5.5): 5919.63
ACD/KOC (pH 5.5): 17450.20
ACD/LogD (pH 7.4): 5.27
ACD/BCF (pH 7.4): 5919.62
ACD/KOC (pH 7.4): 17450.20
Polar Surface Area: 67 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 35.8±3.0 dyne/cm
Molar Volume: 441.9±3.0 cm3

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