ChemSpider 2D Image | 3-[(2R)-2,3-Dihydroxypropoxy]-6,6-dimethyl-8-[(2R,3R)-2,3,4-trihydroxybutoxy]benzo[b]naphtho[2,3-d]furan-11(6H)-one | C25H28O9

3-[(2R)-2,3-Dihydroxypropoxy]-6,6-dimethyl-8-[(2R,3R)-2,3,4-trihydroxybutoxy]benzo[b]naphtho[2,3-d]furan-11(6H)-one

  • Molecular FormulaC25H28O9
  • Average mass472.484 Da
  • Monoisotopic mass472.173340 Da
  • ChemSpider ID76796899

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

3-[(2R)-2,3-Dihydroxypropoxy]-6,6-dimethyl-8-[(2R,3R)-2,3,4-trihydroxybutoxy]benzo[b]naphtho[2,3-d]furan-11(6H)-on [German] [ACD/IUPAC Name]
3-[(2R)-2,3-Dihydroxypropoxy]-6,6-dimethyl-8-[(2R,3R)-2,3,4-trihydroxybutoxy]benzo[b]naphtho[2,3-d]furan-11(6H)-one [ACD/IUPAC Name]
3-[(2R)-2,3-Dihydroxypropoxy]-6,6-diméthyl-8-[(2R,3R)-2,3,4-trihydroxybutoxy]benzo[b]naphto[2,3-d]furan-11(6H)-one [French] [ACD/IUPAC Name]
Benzo[b]naphtho[2,3-d]furan-11(6H)-one, 3-[(2R)-2,3-dihydroxypropoxy]-6,6-dimethyl-8-[(2R,3R)-2,3,4-trihydroxybutoxy]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 757.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.8±3.0 kJ/mol
Flash Point: 412.0±32.9 °C
Index of Refraction: 1.644
Molar Refractivity: 122.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 1.62
ACD/LogD (pH 5.5): 1.59
ACD/BCF (pH 5.5): 9.55
ACD/KOC (pH 5.5): 175.07
ACD/LogD (pH 7.4): 1.59
ACD/BCF (pH 7.4): 9.55
ACD/KOC (pH 7.4): 175.07
Polar Surface Area: 150 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 66.5±3.0 dyne/cm
Molar Volume: 337.1±3.0 cm3

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