ChemSpider 2D Image | Antillatoxin | C27H43N3O5

Antillatoxin

  • Molecular FormulaC27H43N3O5
  • Average mass489.647 Da
  • Monoisotopic mass489.320282 Da
  • ChemSpider ID28287038
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres


More details:



Featured data source



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

(6S,9S,14R,15R)-15-[(2E,4E)-6,6-Dimethyl-2,4-heptadien-2-yl]-6-isopropyl-7,9,14-trimethyl-13-methylen-1-oxa-4,7,10-triazacyclopentadecan-2,5,8,11-tetron [German] [ACD/IUPAC Name]
(6S,9S,14R,15R)-15-[(2E,4E)-6,6-Dimethyl-2,4-heptadien-2-yl]-6-isopropyl-7,9,14-trimethyl-13-methylene-1-oxa-4,7,10-triazacyclopentadecane-2,5,8,11-tetrone [ACD/IUPAC Name]
(6S,9S,14R,15R)-15-[(2E,4E)-6,6-Diméthyl-2,4-heptadién-2-yl]-6-isopropyl-7,9,14-triméthyl-13-méthylène-1-oxa-4,7,10-triazacyclopentadécane-2,5,8,11-tétrone [French] [ACD/IUPAC Name]
1-Oxa-4,7,10-triazacyclopentadecane-2,5,8,11-tetrone, 7,9,14-trimethyl-13-methylene-6-(1-methylethyl)-15-[(1E,3E)-1,5,5-trimethyl-1,3-hexadien-1-yl]-, (6S,9S,14R,15R)- [ACD/Index Name]
Antillatoxin [Wiki]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 735.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.2±3.0 kJ/mol
Flash Point: 398.3±32.9 °C
Index of Refraction: 1.520
Molar Refractivity: 137.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.14
ACD/LogD (pH 5.5): 2.34
ACD/BCF (pH 5.5): 35.17
ACD/KOC (pH 5.5): 444.98
ACD/LogD (pH 7.4): 2.34
ACD/BCF (pH 7.4): 35.17
ACD/KOC (pH 7.4): 444.98
Polar Surface Area: 105 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 41.8±5.0 dyne/cm
Molar Volume: 451.8±5.0 cm3

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