ChemSpider 2D Image | (3R,4R)-4-hydroxyde-O-methyllasiodiplodin | C16H22O5

(3R,4R)-4-hydroxyde-O-methyllasiodiplodin

  • Molecular FormulaC16H22O5
  • Average mass294.343 Da
  • Monoisotopic mass294.146729 Da
  • ChemSpider ID32033855

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Featured data source
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(3R,4R)-4,12,14-Trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclododecin-1-on [German] [ACD/IUPAC Name]
(3R,4R)-4,12,14-Trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclododecin-1-one [ACD/IUPAC Name]
(3R,4R)-4,12,14-Trihydroxy-3-méthyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclododécin-1-one [French] [ACD/IUPAC Name]
(3R,4R)-4-hydroxyde-O-methyllasiodiplodin
1H-2-Benzoxacyclododecin-1-one, 3,4,5,6,7,8,9,10-octahydro-4,12,14-trihydroxy-3-methyl-, (3R,4R)- [ACD/Index Name]
(3R,4R)-4-hydroxy-de-O-methyllasiodiplodin

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

Density: 1.2±0.1 g/cm3
Boiling Point: 560.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.7±3.0 kJ/mol
Flash Point: 208.2±22.2 °C
Index of Refraction: 1.551
Molar Refractivity: 77.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.20
ACD/LogD (pH 5.5): 3.52
ACD/BCF (pH 5.5): 278.87
ACD/KOC (pH 5.5): 1955.82
ACD/LogD (pH 7.4): 3.36
ACD/BCF (pH 7.4): 192.92
ACD/KOC (pH 7.4): 1353.02
Polar Surface Area: 87 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 47.8±3.0 dyne/cm
Molar Volume: 244.1±3.0 cm3

Click to predict properties on the Chemicalize site


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