ChemSpider 2D Image | fusarentin | C16H22O7

fusarentin

  • Molecular FormulaC16H22O7
  • Average mass326.342 Da
  • Monoisotopic mass326.136566 Da
  • ChemSpider ID23330204

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3R,4R)-4,8-dihydroxy-3-((R)-2-hydroxypentyl)-6,7-dimethoxyisochroman-1-one
(3R,4R)-4,8-Dihydroxy-3-[(2R)-2-hydroxypentyl]-6,7-dimethoxy-3,4-dihydro-1H-isochromen-1-on [German] [ACD/IUPAC Name]
(3R,4R)-4,8-Dihydroxy-3-[(2R)-2-hydroxypentyl]-6,7-dimethoxy-3,4-dihydro-1H-isochromen-1-one [ACD/IUPAC Name]
(3R,4R)-4,8-Dihydroxy-3-[(2R)-2-hydroxypentyl]-6,7-diméthoxy-3,4-dihydro-1H-isochromén-1-one [French] [ACD/IUPAC Name]
(3R,4R)-4,8-Dihydroxy-6,7-dimethoxy-3-((R)-2-hydroxypentyl)isochroman-1-one
1H-2-Benzopyran-1-one, 3,4-dihydro-4,8-dihydroxy-3-[(2R)-2-hydroxypentyl]-6,7-dimethoxy-, (3R,4R)- [ACD/Index Name]
fusarentin
(3R,4R)-4,8-dihydroxy-3-((R)-2-hydroxypentyl)-6,7-dimethoxy-3,4-dihydroisochromen-1-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL488848/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 569.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.8±3.0 kJ/mol
Flash Point: 208.9±23.6 °C
Index of Refraction: 1.561
Molar Refractivity: 81.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.71
ACD/LogD (pH 5.5): 1.42
ACD/BCF (pH 5.5): 7.08
ACD/KOC (pH 5.5): 141.32
ACD/LogD (pH 7.4): 1.42
ACD/BCF (pH 7.4): 6.99
ACD/KOC (pH 7.4): 139.52
Polar Surface Area: 105 Å2
Polarizability: 32.4±0.5 10-24cm3
Surface Tension: 52.5±3.0 dyne/cm
Molar Volume: 252.2±3.0 cm3

Click to predict properties on the Chemicalize site


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