ChemSpider 2D Image | Annosquatin-I, (rel)- | C37H66O8

Annosquatin-I, (rel)-

  • Molecular FormulaC37H66O8
  • Average mass638.915 Da
  • Monoisotopic mass638.475769 Da
  • ChemSpider ID28491261

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(5S)-3-(14-{(2R,5S)-5-[(1S,4R)-4-{(2S,5S)-5-[(1S,2S)-1,2-Dihydroxyhexyl]tetrahydro-2-furanyl}-1,4-dihydroxybutyl]tetrahydro-2-furanyl}tetradecyl)-5-methyl-2(5H)-furanon [German] [ACD/IUPAC Name]
(5S)-3-(14-{(2R,5S)-5-[(1S,4R)-4-{(2S,5S)-5-[(1S,2S)-1,2-Dihydroxyhexyl]tetrahydro-2-furanyl}-1,4-dihydroxybutyl]tetrahydro-2-furanyl}tetradecyl)-5-methyl-2(5H)-furanone [ACD/IUPAC Name]
(5S)-3-(14-{(2R,5S)-5-[(1S,4R)-4-{(2S,5S)-5-[(1S,2S)-1,2-Dihydroxyhexyl]tétrahydro-2-furanyl}-1,4-dihydroxybutyl]tétrahydro-2-furanyl}tétradécyl)-5-méthyl-2(5H)-furanone [French] [ACD/IUPAC Name]
2(5H)-Furanone, 3-[14-[(2R,5S)-5-[(1S,4R)-4-[(2S,5S)-5-[(1S,2S)-1,2-dihydroxyhexyl]tetrahydro-2-furanyl]-1,4-dihydroxybutyl]tetrahydro-2-furanyl]tetradecyl]-5-methyl-, (5S)- [ACD/Index Name]
Annosquatin-I, (rel)-

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

Density: 1.1±0.1 g/cm3
Boiling Point: 785.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.2 mmHg at 25°C
Enthalpy of Vaporization: 130.2±6.0 kJ/mol
Flash Point: 233.7±20.8 °C
Index of Refraction: 1.511
Molar Refractivity: 177.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 25
#Rule of 5 Violations: 2
ACD/LogP: 6.01
ACD/LogD (pH 5.5): 5.64
ACD/BCF (pH 5.5): 11349.64
ACD/KOC (pH 5.5): 27806.43
ACD/LogD (pH 7.4): 5.64
ACD/BCF (pH 7.4): 11349.63
ACD/KOC (pH 7.4): 27806.40
Polar Surface Area: 126 Å2
Polarizability: 70.5±0.5 10-24cm3
Surface Tension: 43.5±3.0 dyne/cm
Molar Volume: 593.4±3.0 cm3

Click to predict properties on the Chemicalize site


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