ChemSpider 2D Image | deoxyfusapyrone | C34H54O8

deoxyfusapyrone

  • Molecular FormulaC34H54O8
  • Average mass590.788 Da
  • Monoisotopic mass590.381897 Da
  • ChemSpider ID17252586

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 7 defined stereocentres

More details:

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

(2S,3R,4S,6S)-2',3,4-Trihydroxy-6-(hydroxymethyl)-6'-[(4E,6E,9Z)-3-hydroxy-2,6,8,10,12-pentamethyl-4,6,9-octadecatrien-2-yl]-3,4,5,6-tetrahydro-2H,4'H-2,3'-bipyran-4'-on [German] [ACD/IUPAC Name]
(2S,3R,4S,6S)-2',3,4-Trihydroxy-6-(hydroxymethyl)-6'-[(4E,6E,9Z)-3-hydroxy-2,6,8,10,12-pentamethyl-4,6,9-octadecatrien-2-yl]-3,4,5,6-tetrahydro-2H,4'H-2,3'-bipyran-4'-one [ACD/IUPAC Name]
(2S,3R,4S,6S)-2',3,4-Trihydroxy-6-(hydroxyméthyl)-6'-[(4E,6E,9Z)-3-hydroxy-2,6,8,10,12-pentaméthyl-4,6,9-octadécatrién-2-yl]-3,4,5,6-tétrahydro-2H,4'H-2,3'-bipyran-4'-one [French] [ACD/IUPAC Name]
156856-32-5 [RN]
deoxyfusapyrone
3-[(2S,3R,4S,6S)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-4-hydroxy-6-[(4E,6E,9Z)-3-hydroxy-2,6,8,10,12-pentamethyloctadeca-4,6,9-trien-2-yl]pyran-2-one

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

Density: 1.1±0.1 g/cm3
Boiling Point: 765.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.9 mmHg at 25°C
Enthalpy of Vaporization: 127.2±6.0 kJ/mol
Flash Point: 234.7±26.4 °C
Index of Refraction: 1.556
Molar Refractivity: 165.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 8.42
ACD/LogD (pH 5.5): 5.14
ACD/BCF (pH 5.5): 2656.34
ACD/KOC (pH 5.5): 4978.66
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 45.82
ACD/KOC (pH 7.4): 85.88
Polar Surface Area: 137 Å2
Polarizability: 65.5±0.5 10-24cm3
Surface Tension: 49.7±3.0 dyne/cm
Molar Volume: 514.2±3.0 cm3

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