Found 4 results

Search term: FPANWDWGPATUTH (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (3R,4R,5R,7S)-7-[(1R,4S)-4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl]-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol | C15H24O4

(3R,4R,5R,7S)-7-[(1R,4S)-4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl]-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol

  • Molecular FormulaC15H24O4
  • Average mass268.349 Da
  • Monoisotopic mass268.167450 Da
  • ChemSpider ID67024207

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3R,4R,5R,7S)-7-[(1R,4S)-4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl]-7-methyl-1-oxaspiro[2.4]heptan-4,5-diol [German] [ACD/IUPAC Name]
(3R,4R,5R,7S)-7-[(1R,4S)-4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl]-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol [ACD/IUPAC Name]
(3R,4R,5R,7S)-7-[(1R,4S)-4-Hydroxy-1,4-diméthyl-2-cyclohexén-1-yl]-7-méthyl-1-oxaspiro[2.4]heptane-4,5-diol [French] [ACD/IUPAC Name]
1-Oxaspiro[2.4]heptane-4,5-diol, 7-[(1R,4S)-4-hydroxy-1,4-dimethyl-2-cyclohexen-1-yl]-7-methyl-, (3R,4R,5R,7S)- [ACD/Index Name]
Trichotriol

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

Density: 1.3±0.1 g/cm3
Boiling Point: 410.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 76.6±6.0 kJ/mol
Flash Point: 202.1±28.7 °C
Index of Refraction: 1.582
Molar Refractivity: 71.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.77
ACD/LogD (pH 5.5): 0.89
ACD/BCF (pH 5.5): 2.80
ACD/KOC (pH 5.5): 72.65
ACD/LogD (pH 7.4): 0.89
ACD/BCF (pH 7.4): 2.80
ACD/KOC (pH 7.4): 72.65
Polar Surface Area: 73 Å2
Polarizability: 28.4±0.5 10-24cm3
Surface Tension: 54.4±5.0 dyne/cm
Molar Volume: 214.5±5.0 cm3

Click to predict properties on the Chemicalize site


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