ChemSpider 2D Image | siserrone A | C28H44O8

siserrone A

  • Molecular FormulaC28H44O8
  • Average mass508.644 Da
  • Monoisotopic mass508.303619 Da
  • ChemSpider ID10245716
  • defined stereocentres - 8 of 9 defined stereocentres


More details:






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

(5R)-2,4-Dideoxy-5-ethyl-1-C-ethyl-3-O-[(2S,3S,4R,6R)-3-hydroxy-2,4-dimethyl-5-oxo-6-(3,5,6-trimethyl-4-oxo-4H-pyran-2-yl)heptanoyl]-2,4-dimethyl-D-lyxopyranose [ACD/IUPAC Name]
(5R)-2,4-Didesoxy-5-ethyl-1-C-ethyl-3-O-[(2S,3S,4R,6R)-3-hydroxy-2,4-dimethyl-5-oxo-6-(3,5,6-trimethyl-4-oxo-4H-pyran-2-yl)heptanoyl]-2,4-dimethyl-D-lyxopyranose [German] [ACD/IUPAC Name]
(5R)-2,4-Didésoxy-5-éthyl-1-C-éthyl-3-O-[(2S,3S,4R,6R)-3-hydroxy-2,4-diméthyl-5-oxo-6-(3,5,6-triméthyl-4-oxo-4H-pyran-2-yl)heptanoyl]-2,4-diméthyl-D-lyxopyranose [French] [ACD/IUPAC Name]
D-Lyxopyranose, 2,4-dideoxy-1,5-di-C-ethyl-3-O-[(2S,3S,4R,6R)-3-hydroxy-2,4-dimethyl-1,5-dioxo-6-(3,5,6-trimethyl-4-oxo-4H-pyran-2-yl)heptyl]-2,4-dimethyl-, (5R)- [ACD/Index Name]
siserrone A
274913-20-1 [RN]
Sisserone A

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 650.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 109.8±6.0 kJ/mol
Flash Point: 205.9±25.0 °C
Index of Refraction: 1.520
Molar Refractivity: 135.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.32
ACD/LogD (pH 5.5): 3.35
ACD/BCF (pH 5.5): 206.42
ACD/KOC (pH 5.5): 1579.45
ACD/LogD (pH 7.4): 3.35
ACD/BCF (pH 7.4): 206.42
ACD/KOC (pH 7.4): 1579.45
Polar Surface Area: 119 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 44.1±5.0 dyne/cm
Molar Volume: 443.9±5.0 cm3

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