ChemSpider 2D Image | squamostatin-A | C37H66O8

squamostatin-A

  • Molecular FormulaC37H66O8
  • Average mass638.915 Da
  • Monoisotopic mass638.475769 Da
  • ChemSpider ID26610525

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(5S)-3-(9-{(2R,5S)-5-[(1S,4R)-4-{(2R,5R)-5-[(1S,5S)-1,5-Dihydroxyundecyl]tetrahydro-2-furanyl}-1,4-dihydroxybutyl]tetrahydro-2-furanyl}nonyl)-5-methyl-2(5H)-furanon [German] [ACD/IUPAC Name]
(5S)-3-(9-{(2R,5S)-5-[(1S,4R)-4-{(2R,5R)-5-[(1S,5S)-1,5-Dihydroxyundecyl]tetrahydro-2-furanyl}-1,4-dihydroxybutyl]tetrahydro-2-furanyl}nonyl)-5-methyl-2(5H)-furanone [ACD/IUPAC Name]
(5S)-3-(9-{(2R,5S)-5-[(1S,4R)-4-{(2R,5R)-5-[(1S,5S)-1,5-Dihydroxyundécyl]tétrahydro-2-furanyl}-1,4-dihydroxybutyl]tétrahydro-2-furanyl}nonyl)-5-méthyl-2(5H)-furanone [French] [ACD/IUPAC Name]
2(5H)-Furanone, 3-[9-[(2R,5S)-5-[(1S,4R)-4-[(2R,5R)-5-[(1S,5S)-1,5-dihydroxyundecyl]tetrahydro-2-furanyl]-1,4-dihydroxybutyl]tetrahydro-2-furanyl]nonyl]-5-methyl-, (5S)- [ACD/Index Name]
squamostatin-A

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

Density: 1.1±0.1 g/cm3
Boiling Point: 798.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.4 mmHg at 25°C
Enthalpy of Vaporization: 132.2±6.0 kJ/mol
Flash Point: 238.4±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: 5.20
ACD/LogD (pH 5.5): 5.89
ACD/BCF (pH 5.5): 17632.16
ACD/KOC (pH 5.5): 38114.69
ACD/LogD (pH 7.4): 5.89
ACD/BCF (pH 7.4): 17632.16
ACD/KOC (pH 7.4): 38114.69
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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