ChemSpider 2D Image | (2R,3S,4S)-3,4-Dihydroxy-2-methoxy-4-methyl-3-[(2R,3S)-2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl]cyclohexanone | C16H26O5

(2R,3S,4S)-3,4-Dihydroxy-2-methoxy-4-methyl-3-[(2R,3S)-2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl]cyclohexanone

  • Molecular FormulaC16H26O5
  • Average mass298.375 Da
  • Monoisotopic mass298.178009 Da
  • ChemSpider ID111310387

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2R,3S,4S)-3,4-Dihydroxy-2-methoxy-4-methyl-3-[(2R,3S)-2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl]cyclohexanon [German] [ACD/IUPAC Name]
(2R,3S,4S)-3,4-Dihydroxy-2-methoxy-4-methyl-3-[(2R,3S)-2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl]cyclohexanone [ACD/IUPAC Name]
(2R,3S,4S)-3,4-Dihydroxy-2-méthoxy-4-méthyl-3-[(2R,3S)-2-méthyl-3-(3-méthyl-2-butén-1-yl)-2-oxiranyl]cyclohexanone [French] [ACD/IUPAC Name]
Cyclohexanone, 3,4-dihydroxy-2-methoxy-4-methyl-3-[(2R,3S)-2-methyl-3-(3-methyl-2-buten-1-yl)oxiranyl]-, (2R,3S,4S)- [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: 419.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 77.7±6.0 kJ/mol
Flash Point: 146.7±22.2 °C
Index of Refraction: 1.528
Molar Refractivity: 78.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.90
ACD/LogD (pH 5.5): 2.38
ACD/BCF (pH 5.5): 38.22
ACD/KOC (pH 5.5): 472.30
ACD/LogD (pH 7.4): 2.38
ACD/BCF (pH 7.4): 38.22
ACD/KOC (pH 7.4): 472.30
Polar Surface Area: 79 Å2
Polarizability: 31.1±0.5 10-24cm3
Surface Tension: 45.2±5.0 dyne/cm
Molar Volume: 254.6±5.0 cm3

Click to predict properties on the Chemicalize site


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