ChemSpider 2D Image | Arthpyrone A | C24H31NO7

Arthpyrone A

  • Molecular FormulaC24H31NO7
  • Average mass445.505 Da
  • Monoisotopic mass445.210052 Da
  • ChemSpider ID34452006

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1S,9S,10S,13S)-6-{[(1R,2R,4aS,6R,8aR)-2,6-Diméthyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphtalényl]carbonyl}-1,4,10,13-tétrahydroxy-8-oxa-4-azatricyclo[7.3.1.02,7]tridéca-2,6-dién-5-one [French] [ACD/IUPAC Name]
(1S,9S,10S,13S)-6-{[(1R,2R,4aS,6R,8aR)-2,6-Dimethyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl]carbonyl}-1,4,10,13-tetrahydroxy-8-oxa-4-azatricyclo[7.3.1.02,7]trideca-2,6-dien-5-one [ACD/IUPAC Name]
(1S,9S,10S,13S)-6-{[(1R,2R,4aS,6R,8aR)-2,6-Dimethyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalinyl]carbonyl}-1,4,10,13-tetrahydroxy-8-oxa-4-azatricyclo[7.3.1.02,7]trideca-2,6-dien-5-on [German] [ACD/IUPAC Name]
2,6-Methano-9H-oxocino[3,2-c]pyridin-9-one, 2,3,4,5,6,8-hexahydro-3,6,8,11-tetrahydroxy-10-[[(1R,2R,4aS,6R,8aR)-1,2,4a,5,6,7,8,8a-octahydro-2,6-dimethyl-1-naphthalenyl]carbonyl]-, (2S,3S,6S,11S)- [ACD/Index Name]
Arthpyrone A

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

Density: 1.4±0.1 g/cm3
Boiling Point: 658.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 111.0±6.0 kJ/mol
Flash Point: 352.1±34.3 °C
Index of Refraction: 1.659
Molar Refractivity: 113.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.65
ACD/LogD (pH 5.5): 1.50
ACD/BCF (pH 5.5): 8.10
ACD/KOC (pH 5.5): 154.87
ACD/LogD (pH 7.4): 1.15
ACD/BCF (pH 7.4): 3.59
ACD/KOC (pH 7.4): 68.70
Polar Surface Area: 128 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 72.6±5.0 dyne/cm
Molar Volume: 308.6±5.0 cm3

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