ChemSpider 2D Image | (1S)-1-[(1R)-4,4-Dimethyl-2-oxocyclopentyl]-5-(hydroxymethyl)-3-oxabicyclo[4.2.0]octa-5,7-dien-4-one | C15H18O4

(1S)-1-[(1R)-4,4-Dimethyl-2-oxocyclopentyl]-5-(hydroxymethyl)-3-oxabicyclo[4.2.0]octa-5,7-dien-4-one

  • Molecular FormulaC15H18O4
  • Average mass262.301 Da
  • Monoisotopic mass262.120514 Da
  • ChemSpider ID21428798

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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(1S)-1-[(1R)-4,4-Dimethyl-2-oxocyclopentyl]-5-(hydroxymethyl)-3-oxabicyclo[4.2.0]octa-5,7-dien-4-on [German] [ACD/IUPAC Name]
(1S)-1-[(1R)-4,4-Dimethyl-2-oxocyclopentyl]-5-(hydroxymethyl)-3-oxabicyclo[4.2.0]octa-5,7-dien-4-one [ACD/IUPAC Name]
(1S)-1-[(1R)-4,4-Diméthyl-2-oxocyclopentyl]-5-(hydroxyméthyl)-3-oxabicyclo[4.2.0]octa-5,7-dién-4-one [French] [ACD/IUPAC Name]
3-Oxabicyclo[4.2.0]octa-5,7-dien-4-one, 1-[(1R)-4,4-dimethyl-2-oxocyclopentyl]-5-(hydroxymethyl)-, (1S)- [ACD/Index Name]
(+)-fomannosin
18885-59-1 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 499.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.4±6.0 kJ/mol
Flash Point: 191.0±22.2 °C
Index of Refraction: 1.580
Molar Refractivity: 68.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.93
ACD/LogD (pH 5.5): 0.76
ACD/BCF (pH 5.5): 2.25
ACD/KOC (pH 5.5): 62.15
ACD/LogD (pH 7.4): 0.76
ACD/BCF (pH 7.4): 2.25
ACD/KOC (pH 7.4): 62.15
Polar Surface Area: 64 Å2
Polarizability: 27.1±0.5 10-24cm3
Surface Tension: 51.0±5.0 dyne/cm
Molar Volume: 205.2±5.0 cm3

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