ChemSpider 2D Image | chaxalactin B, rel- | C28H40O5

chaxalactin B, rel-

  • Molecular FormulaC28H40O5
  • Average mass456.614 Da
  • Monoisotopic mass456.287567 Da
  • ChemSpider ID28482964
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres


More details:






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

(3E,5E,7E,9R,11E,13S,14S,15R,16S,17Z,19E,22R)-22-[(1E)-1-Buten-1-yl]-14,15,16-trihydroxy-5,9,13-trimethyloxacyclodocosa-3,5,7,11,17,19-hexaen-2-on [German] [ACD/IUPAC Name]
(3E,5E,7E,9R,11E,13S,14S,15R,16S,17Z,19E,22R)-22-[(1E)-1-Buten-1-yl]-14,15,16-trihydroxy-5,9,13-trimethyloxacyclodocosa-3,5,7,11,17,19-hexaen-2-one [ACD/IUPAC Name]
(3E,5E,7E,9R,11E,13S,14S,15R,16S,17Z,19E,22R)-22-[(1E)-1-Butén-1-yl]-14,15,16-trihydroxy-5,9,13-triméthyloxacyclodocosa-3,5,7,11,17,19-hexaén-2-one [French] [ACD/IUPAC Name]
chaxalactin B, rel-
Oxacyclodocosa-3,5,7,11,17,19-hexaen-2-one, 22-[(1E)-1-buten-1-yl]-14,15,16-trihydroxy-5,9,13-trimethyl-, (3E,5E,7E,9R,11E,13S,14S,15R,16S,17Z,19E,22R)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 629.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 106.8±6.0 kJ/mol
Flash Point: 201.4±25.0 °C
Index of Refraction: 1.530
Molar Refractivity: 135.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 6.08
ACD/LogD (pH 5.5): 4.98
ACD/BCF (pH 5.5): 3572.54
ACD/KOC (pH 5.5): 12156.69
ACD/LogD (pH 7.4): 4.98
ACD/BCF (pH 7.4): 3572.54
ACD/KOC (pH 7.4): 12156.68
Polar Surface Area: 87 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 38.9±3.0 dyne/cm
Molar Volume: 438.9±3.0 cm3

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