ChemSpider 2D Image | (2S,3R)-3-[(3E)-1,5-Dihydroxy-4-methyl-3-penten-1-yl]-4-hydroxy-7-methoxy-2,3,8-trimethyl-2,3-dihydronaphtho[1,2-b]furan-6,9-dione | C22H26O7

(2S,3R)-3-[(3E)-1,5-Dihydroxy-4-methyl-3-penten-1-yl]-4-hydroxy-7-methoxy-2,3,8-trimethyl-2,3-dihydronaphtho[1,2-b]furan-6,9-dione

  • Molecular FormulaC22H26O7
  • Average mass402.438 Da
  • Monoisotopic mass402.167847 Da
  • ChemSpider ID78436169

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(2S,3R)-3-[(3E)-1,5-Dihydroxy-4-methyl-3-penten-1-yl]-4-hydroxy-7-methoxy-2,3,8-trimethyl-2,3-dihydronaphtho[1,2-b]furan-6,9-dion [German] [ACD/IUPAC Name]
(2S,3R)-3-[(3E)-1,5-Dihydroxy-4-methyl-3-penten-1-yl]-4-hydroxy-7-methoxy-2,3,8-trimethyl-2,3-dihydronaphtho[1,2-b]furan-6,9-dione [ACD/IUPAC Name]
(2S,3R)-3-[(3E)-1,5-Dihydroxy-4-méthyl-3-pentén-1-yl]-4-hydroxy-7-méthoxy-2,3,8-triméthyl-2,3-dihydronaphto[1,2-b]furane-6,9-dione [French] [ACD/IUPAC Name]
Naphtho[1,2-b]furan-6,9-dione, 3-[(3E)-1,5-dihydroxy-4-methyl-3-penten-1-yl]-2,3-dihydro-4-hydroxy-7-methoxy-2,3,8-trimethyl-, (2S,3R)- [ACD/Index Name]
Furaquinocin B

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

Density: 1.4±0.1 g/cm3
Boiling Point: 673.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.9±3.0 kJ/mol
Flash Point: 235.9±25.0 °C
Index of Refraction: 1.616
Molar Refractivity: 104.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.37
ACD/LogD (pH 5.5): 2.89
ACD/BCF (pH 5.5): 91.08
ACD/KOC (pH 5.5): 860.37
ACD/LogD (pH 7.4): 2.06
ACD/BCF (pH 7.4): 13.44
ACD/KOC (pH 7.4): 126.96
Polar Surface Area: 113 Å2
Polarizability: 41.3±0.5 10-24cm3
Surface Tension: 62.1±5.0 dyne/cm
Molar Volume: 298.2±5.0 cm3

Click to predict properties on the Chemicalize site


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