ChemSpider 2D Image | Gymnastatin Q | C24H35Cl2NO5

Gymnastatin Q

  • Molecular FormulaC24H35Cl2NO5
  • Average mass488.444 Da
  • Monoisotopic mass487.189240 Da
  • ChemSpider ID23314558

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

Featured data source
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2E,4E,6R)-N-[(1S,2R,3S,5S,9S)-1,7-Dichlor-2,5-dihydroxy-9-methoxy-8-oxobicyclo[3.3.1]non-6-en-3-yl]-4,6-dimethyl-2,4-dodecadienamid [German] [ACD/IUPAC Name]
(2E,4E,6R)-N-[(1S,2R,3S,5S,9S)-1,7-Dichloro-2,5-dihydroxy-9-methoxy-8-oxobicyclo[3.3.1]non-6-en-3-yl]-4,6-dimethyl-2,4-dodecadienamide [ACD/IUPAC Name]
(2E,4E,6R)-N-[(1S,2R,3S,5S,9S)-1,7-Dichloro-2,5-dihydroxy-9-méthoxy-8-oxobicyclo[3.3.1]non-6-én-3-yl]-4,6-diméthyl-2,4-dodécadiénamide [French] [ACD/IUPAC Name]
(2E,4E,6R)-N-[(1S,2R,3S,5S,9S)-1,7-dichloro-2,5-dihydroxy-9-methoxy-8-oxobicyclo[3.3.1]non-6-en-3-yl]-4,6-dimethyldodeca-2,4-dienamide
2,4-Dodecadienamide, N-[(1S,2R,3S,5S,9S)-1,7-dichloro-2,5-dihydroxy-9-methoxy-8-oxobicyclo[3.3.1]non-6-en-3-yl]-4,6-dimethyl-, (2E,4E,6R)- [ACD/Index Name]
Gymnastatin Q

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

Density: 1.2±0.1 g/cm3
Boiling Point: 662.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 111.5±6.0 kJ/mol
Flash Point: 354.3±31.5 °C
Index of Refraction: 1.559
Molar Refractivity: 126.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.56
ACD/LogD (pH 5.5): 4.72
ACD/BCF (pH 5.5): 2278.57
ACD/KOC (pH 5.5): 8810.70
ACD/LogD (pH 7.4): 4.72
ACD/BCF (pH 7.4): 2277.26
ACD/KOC (pH 7.4): 8805.63
Polar Surface Area: 96 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 50.0±5.0 dyne/cm
Molar Volume: 392.2±5.0 cm3

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