Found 1 result

Search term: 34982056 (Found by CSID)
ChemSpider 2D Image | (3R,4R)-5,8-Dihydroxy-4-methoxy-7-(3-methyl-2-buten-1-yl)-3-pentyl-3,4-dihydro-1H-isochromen-1-one | C20H28O5

(3R,4R)-5,8-Dihydroxy-4-methoxy-7-(3-methyl-2-buten-1-yl)-3-pentyl-3,4-dihydro-1H-isochromen-1-one

  • Molecular FormulaC20H28O5
  • Average mass348.433 Da
  • Monoisotopic mass348.193665 Da
  • ChemSpider ID34982056

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4R)-5,8-Dihydroxy-4-methoxy-7-(3-methyl-2-buten-1-yl)-3-pentyl-3,4-dihydro-1H-isochromen-1-on [German] [ACD/IUPAC Name]
(3R,4R)-5,8-Dihydroxy-4-methoxy-7-(3-methyl-2-buten-1-yl)-3-pentyl-3,4-dihydro-1H-isochromen-1-one [ACD/IUPAC Name]
(3R,4R)-5,8-Dihydroxy-4-méthoxy-7-(3-méthyl-2-butén-1-yl)-3-pentyl-3,4-dihydro-1H-isochromén-1-one [French] [ACD/IUPAC Name]
1H-2-Benzopyran-1-one, 3,4-dihydro-5,8-dihydroxy-4-methoxy-7-(3-methyl-2-buten-1-yl)-3-pentyl-, (3R,4R)- [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: 500.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.9±3.0 kJ/mol
Flash Point: 171.9±23.6 °C
Index of Refraction: 1.558
Molar Refractivity: 95.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.95
ACD/LogD (pH 5.5): 5.10
ACD/BCF (pH 5.5): 4444.46
ACD/KOC (pH 5.5): 14213.15
ACD/LogD (pH 7.4): 5.10
ACD/BCF (pH 7.4): 4410.54
ACD/KOC (pH 7.4): 14104.66
Polar Surface Area: 76 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 49.4±5.0 dyne/cm
Molar Volume: 297.0±5.0 cm3

Click to predict properties on the Chemicalize site


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