Found 1 result

Search term: 78439477 (Found by CSID)
ChemSpider 2D Image | 5-[(1S,2R,5S,6S)-2,5-Dihydroxy-7-oxabicyclo[4.1.0]hept-2-yl]-3-{[(1S,2S,4aR,6R,8aS)-2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl]carbonyl}-1,4-dihydroxy-2(1H)-pyridinone | C24H31NO7

5-[(1S,2R,5S,6S)-2,5-Dihydroxy-7-oxabicyclo[4.1.0]hept-2-yl]-3-{[(1S,2S,4aR,6R,8aS)-2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl]carbonyl}-1,4-dihydroxy-2(1H)-pyridinone

  • Molecular FormulaC24H31NO7
  • Average mass445.505 Da
  • Monoisotopic mass445.210052 Da
  • ChemSpider ID78439477

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

2(1H)-Pyridinone, 5-[(1S,2R,5S,6S)-2,5-dihydroxy-7-oxabicyclo[4.1.0]hept-2-yl]-1,4-dihydroxy-3-[[(1S,2S,4aR,6R,8aS)-1,2,4a,5,6,7,8,8a-octahydro-2,6-dimethyl-1-naphthalenyl]carbonyl]- [ACD/Index Name]
5-[(1S,2R,5S,6S)-2,5-Dihydroxy-7-oxabicyclo[4.1.0]hept-2-yl]-3-{[(1S,2S,4aR,6R,8aS)-2,6-diméthyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphtalényl]carbonyl}-1,4-dihydroxy-2(1H)-pyridinone [French] [ACD/IUPAC Name]
5-[(1S,2R,5S,6S)-2,5-Dihydroxy-7-oxabicyclo[4.1.0]hept-2-yl]-3-{[(1S,2S,4aR,6R,8aS)-2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl]carbonyl}-1,4-dihydroxy-2(1H)-pyridinone [ACD/IUPAC Name]
5-[(1S,2R,5S,6S)-2,5-Dihydroxy-7-oxabicyclo[4.1.0]hept-2-yl]-3-{[(1S,2S,4aR,6R,8aS)-2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalinyl]carbonyl}-1,4-dihydroxy-2(1H)-pyridinon [German] [ACD/IUPAC Name]
Didymellamide F

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

Density: 1.4±0.1 g/cm3
Boiling Point: 649.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 109.7±6.0 kJ/mol
Flash Point: 346.7±34.3 °C
Index of Refraction: 1.652
Molar Refractivity: 113.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.79
ACD/LogD (pH 5.5): 0.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.46
ACD/LogD (pH 7.4): -2.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 131 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 71.4±3.0 dyne/cm
Molar Volume: 309.9±3.0 cm3

Click to predict properties on the Chemicalize site


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