Found 5 results

Search term: NTKGUTHHGBIWPA (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2-Methoxy-3,5-dimethyl-6-[(1S,2R,4R,5S,7S,8S,9S,10R)-1,4,7,9,10-pentamethyl-3,6-dioxatetracyclo[6.2.0.0~2,4~.0~5,7~]dec-9-yl]-4H-pyran-4-one | C21H28O5

2-Methoxy-3,5-dimethyl-6-[(1S,2R,4R,5S,7S,8S,9S,10R)-1,4,7,9,10-pentamethyl-3,6-dioxatetracyclo[6.2.0.02,4.05,7]dec-9-yl]-4H-pyran-4-one

  • Molecular FormulaC21H28O5
  • Average mass360.444 Da
  • Monoisotopic mass360.193665 Da
  • ChemSpider ID74045717

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

2-Methoxy-3,5-dimethyl-6-[(1S,2R,4R,5S,7S,8S,9S,10R)-1,4,7,9,10-pentamethyl-3,6-dioxatetracyclo[6.2.0.02,4.05,7]dec-9-yl]-4H-pyran-4-on [German] [ACD/IUPAC Name]
2-Methoxy-3,5-dimethyl-6-[(1S,2R,4R,5S,7S,8S,9S,10R)-1,4,7,9,10-pentamethyl-3,6-dioxatetracyclo[6.2.0.02,4.05,7]dec-9-yl]-4H-pyran-4-one [ACD/IUPAC Name]
2-Méthoxy-3,5-diméthyl-6-[(1S,2R,4R,5S,7S,8S,9S,10R)-1,4,7,9,10-pentaméthyl-3,6-dioxatétracyclo[6.2.0.02,4.05,7]déc-9-yl]-4H-pyran-4-one [French] [ACD/IUPAC Name]
4H-Pyran-4-one, 2-methoxy-3,5-dimethyl-6-[(1S,2R,4R,5S,7S,8S,9S,10R)-1,4,7,9,10-pentamethyl-3,6-dioxatetracyclo[6.2.0.02,4.05,7]dec-9-yl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 467.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.0±3.0 kJ/mol
Flash Point: 203.7±28.8 °C
Index of Refraction: 1.566
Molar Refractivity: 95.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.51
ACD/LogD (pH 5.5): 2.37
ACD/BCF (pH 5.5): 37.49
ACD/KOC (pH 5.5): 465.81
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 37.49
ACD/KOC (pH 7.4): 465.81
Polar Surface Area: 61 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 43.4±5.0 dyne/cm
Molar Volume: 291.2±5.0 cm3

Click to predict properties on the Chemicalize site


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