ChemSpider 2D Image | chaxalactin C, rel- | C29H42O5

chaxalactin C, rel-

  • Molecular FormulaC29H42O5
  • Average mass470.641 Da
  • Monoisotopic mass470.303223 Da
  • ChemSpider ID28482965

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

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

Density: 1.1±0.1 g/cm3
Boiling Point: 631.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 107.0±6.0 kJ/mol
Flash Point: 199.5±25.0 °C
Index of Refraction: 1.542
Molar Refractivity: 140.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.46
ACD/LogD (pH 5.5): 5.82
ACD/BCF (pH 5.5): 15658.66
ACD/KOC (pH 5.5): 35010.05
ACD/LogD (pH 7.4): 5.82
ACD/BCF (pH 7.4): 15658.64
ACD/KOC (pH 7.4): 35010.02
Polar Surface Area: 76 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 43.1±5.0 dyne/cm
Molar Volume: 444.7±5.0 cm3

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