Found 64 results

Search term: MF = 'C_{28}H_{43}NO_{6}'
ChemSpider 2D Image | 5-[(1S,2R)-1,2-Dihydroxy-4-oxocyclohexyl]-3-{(2S,5R,6R)-6-[(2E)-4,6-dimethyl-2-octen-2-yl]-5-methyltetrahydro-2H-pyran-2-yl}-4-hydroxy-1-methyl-2(1H)-pyridinone | C28H43NO6

5-[(1S,2R)-1,2-Dihydroxy-4-oxocyclohexyl]-3-{(2S,5R,6R)-6-[(2E)-4,6-dimethyl-2-octen-2-yl]-5-methyltetrahydro-2H-pyran-2-yl}-4-hydroxy-1-methyl-2(1H)-pyridinone

  • Molecular FormulaC28H43NO6
  • Average mass489.644 Da
  • Monoisotopic mass489.309052 Da
  • ChemSpider ID24701013

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 7 defined stereocentres

More details:

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

2(1H)-Pyridinone, 5-[(1S,2R)-1,2-dihydroxy-4-oxocyclohexyl]-4-hydroxy-1-methyl-3-[(2S,5R,6R)-tetrahydro-5-methyl-6-[(1E)-1,3,5-trimethyl-1-hepten-1-yl]-2H-pyran-2-yl]- [ACD/Index Name]
5-[(1S,2R)-1,2-Dihydroxy-4-oxocyclohexyl]-3-{(2S,5R,6R)-6-[(2E)-4,6-dimethyl-2-octen-2-yl]-5-methyltetrahydro-2H-pyran-2-yl}-4-hydroxy-1-methyl-2(1H)-pyridinon [German] [ACD/IUPAC Name]
5-[(1S,2R)-1,2-Dihydroxy-4-oxocyclohexyl]-3-{(2S,5R,6R)-6-[(2E)-4,6-dimethyl-2-octen-2-yl]-5-methyltetrahydro-2H-pyran-2-yl}-4-hydroxy-1-methyl-2(1H)-pyridinone [ACD/IUPAC Name]
5-[(1S,2R)-1,2-Dihydroxy-4-oxocyclohexyl]-3-{(2S,5R,6R)-6-[(2E)-4,6-diméthyl-2-octén-2-yl]-5-méthyltétrahydro-2H-pyran-2-yl}-4-hydroxy-1-méthyl-2(1H)-pyridinone [French] [ACD/IUPAC Name]
6-epi-oxysporidinone
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL482022/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 639.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.1±6.0 kJ/mol
Flash Point: 340.3±31.5 °C
Index of Refraction: 1.567
Molar Refractivity: 134.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.34
ACD/LogD (pH 5.5): 3.64
ACD/BCF (pH 5.5): 263.34
ACD/KOC (pH 5.5): 1359.06
ACD/LogD (pH 7.4): 1.93
ACD/BCF (pH 7.4): 5.10
ACD/KOC (pH 7.4): 26.30
Polar Surface Area: 107 Å2
Polarizability: 53.4±0.5 10-24cm3
Surface Tension: 51.4±3.0 dyne/cm
Molar Volume: 412.1±3.0 cm3

Click to predict properties on the Chemicalize site


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