ChemSpider 2D Image | (2S,5R)-5-Hydroxy-2-[(2S,5E,9R)-2,9,10-trihydroxy-6,10-dimethyl-5-undecen-2-yl]-3,5,6,7-tetrahydro-1-benzofuran-4(2H)-one | C21H34O6

(2S,5R)-5-Hydroxy-2-[(2S,5E,9R)-2,9,10-trihydroxy-6,10-dimethyl-5-undecen-2-yl]-3,5,6,7-tetrahydro-1-benzofuran-4(2H)-one

  • Molecular FormulaC21H34O6
  • Average mass382.491 Da
  • Monoisotopic mass382.235535 Da
  • ChemSpider ID30771201

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,5R)-5-Hydroxy-2-[(2S,5E,9R)-2,9,10-trihydroxy-6,10-dimethyl-5-undecen-2-yl]-3,5,6,7-tetrahydro-1-benzofuran-4(2H)-on [German] [ACD/IUPAC Name]
(2S,5R)-5-Hydroxy-2-[(2S,5E,9R)-2,9,10-trihydroxy-6,10-dimethyl-5-undecen-2-yl]-3,5,6,7-tetrahydro-1-benzofuran-4(2H)-one [ACD/IUPAC Name]
(2S,5R)-5-Hydroxy-2-[(2S,5E,9R)-2,9,10-trihydroxy-6,10-diméthyl-5-undécén-2-yl]-3,5,6,7-tétrahydro-1-benzofuran-4(2H)-one [French] [ACD/IUPAC Name]
4(2H)-Benzofuranone, 3,5,6,7-tetrahydro-5-hydroxy-2-[(1S,4E,8R)-1,8,9-trihydroxy-1,5,9-trimethyl-4-decen-1-yl]-, (2S,5R)- [ACD/Index Name]
bicycloalternarene B

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

Density: 1.2±0.1 g/cm3
Boiling Point: 612.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.3±6.0 kJ/mol
Flash Point: 210.9±25.0 °C
Index of Refraction: 1.558
Molar Refractivity: 102.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 0.60
ACD/LogD (pH 5.5): 1.61
ACD/BCF (pH 5.5): 9.82
ACD/KOC (pH 5.5): 178.50
ACD/LogD (pH 7.4): 1.61
ACD/BCF (pH 7.4): 9.82
ACD/KOC (pH 7.4): 178.50
Polar Surface Area: 107 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 52.9±5.0 dyne/cm
Molar Volume: 317.5±5.0 cm3

Click to predict properties on the Chemicalize site


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