ChemSpider 2D Image | carolacton | C25H40O8

carolacton

  • Molecular FormulaC25H40O8
  • Average mass468.580 Da
  • Monoisotopic mass468.272308 Da
  • ChemSpider ID28287364

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(3R,4R,6R,7E)-8-[(2S,3S,7R,8E,10R,11R)-10,11-Dihydroxy-3,7-dimethyl-12-oxooxacyclododec-8-en-2-yl]-3-methoxy-4,6-dimethyl-5-oxo-7-nonenoic acid [ACD/IUPAC Name]
(3R,4R,6R,7E)-8-[(2S,3S,7R,8E,10R,11R)-10,11-Dihydroxy-3,7-dimethyl-12-oxooxacyclododec-8-en-2-yl]-3-methoxy-4,6-dimethyl-5-oxo-7-nonensäure [German] [ACD/IUPAC Name]
7-Nonenoic acid, 8-[(2S,3S,7R,8E,10R,11R)-10,11-dihydroxy-3,7-dimethyl-12-oxooxacyclododec-8-en-2-yl]-3-methoxy-4,6-dimethyl-5-oxo-, (3R,4R,6R,7E)- [ACD/Index Name]
Acide (3R,4R,6R,7E)-8-[(2S,3S,7R,8E,10R,11R)-10,11-dihydroxy-3,7-diméthyl-12-oxooxacyclododéc-8-én-2-yl]-3-méthoxy-4,6-diméthyl-5-oxo-7-nonénoïque [French] [ACD/IUPAC Name]
carolacton

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

Density: 1.1±0.1 g/cm3
Boiling Point: 633.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 107.3±6.0 kJ/mol
Flash Point: 205.0±25.0 °C
Index of Refraction: 1.500
Molar Refractivity: 123.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.64
ACD/LogD (pH 5.5): 1.85
ACD/BCF (pH 5.5): 6.71
ACD/KOC (pH 5.5): 51.99
ACD/LogD (pH 7.4): 0.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 130 Å2
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 41.4±3.0 dyne/cm
Molar Volume: 419.5±3.0 cm3

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