Found 30 results

Search term: MF = 'C_{28}H_{44}O_{9}'
ChemSpider 2D Image | (2R,3S,4S,4aR,10bS)-8,10-Bis(heptyloxy)-3,4-dihydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydropyrano[3,2-c]isochromen-6(2H)-one | C28H44O9

(2R,3S,4S,4aR,10bS)-8,10-Bis(heptyloxy)-3,4-dihydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydropyrano[3,2-c]isochromen-6(2H)-one

  • Molecular FormulaC28H44O9
  • Average mass524.644 Da
  • Monoisotopic mass524.298523 Da
  • ChemSpider ID28517151

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2R,3S,4S,4aR,10bS)-8,10-Bis(heptyloxy)-3,4-dihydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydropyrano[3,2-c]isochromen-6(2H)-on [German] [ACD/IUPAC Name]
(2R,3S,4S,4aR,10bS)-8,10-Bis(heptyloxy)-3,4-dihydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydropyrano[3,2-c]isochromen-6(2H)-one [ACD/IUPAC Name]
(2R,3S,4S,4aR,10bS)-8,10-Bis(heptyloxy)-3,4-dihydroxy-2-(hydroxyméthyl)-9-méthoxy-3,4,4a,10b-tétrahydropyrano[3,2-c]isochromén-6(2H)-one [French] [ACD/IUPAC Name]
Pyrano[3,2-c][2]benzopyran-6(2H)-one, 8,10-bis(heptyloxy)-3,4,4a,10b-tetrahydro-3,4-dihydroxy-2-(hydroxymethyl)-9-methoxy-, (2R,3S,4S,4aR,10bS)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 640.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.4±3.0 kJ/mol
Flash Point: 202.1±25.0 °C
Index of Refraction: 1.529
Molar Refractivity: 138.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 6.91
ACD/LogD (pH 5.5): 6.64
ACD/BCF (pH 5.5): 66147.91
ACD/KOC (pH 5.5): 98198.75
ACD/LogD (pH 7.4): 6.64
ACD/BCF (pH 7.4): 66147.55
ACD/KOC (pH 7.4): 98198.21
Polar Surface Area: 124 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 45.4±3.0 dyne/cm
Molar Volume: 449.5±3.0 cm3

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