Found 1 result

Search term: 78438226 (Found by CSID)
ChemSpider 2D Image | (3S,4R,5R)-4-({[(2S,3S,4S)-4-Acetyl-3-methyltetrahydro-2-furanyl]oxy}methyl)-3,5-dimethyldihydro-2(3H)-furanone | C14H22O5

(3S,4R,5R)-4-({[(2S,3S,4S)-4-Acetyl-3-methyltetrahydro-2-furanyl]oxy}methyl)-3,5-dimethyldihydro-2(3H)-furanone

  • Molecular FormulaC14H22O5
  • Average mass270.322 Da
  • Monoisotopic mass270.146729 Da
  • ChemSpider ID78438226

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3S,4R,5R)-4-({[(2S,3S,4S)-4-Acetyl-3-methyltetrahydro-2-furanyl]oxy}methyl)-3,5-dimethyldihydro-2(3H)-furanon [German] [ACD/IUPAC Name]
(3S,4R,5R)-4-({[(2S,3S,4S)-4-Acetyl-3-methyltetrahydro-2-furanyl]oxy}methyl)-3,5-dimethyldihydro-2(3H)-furanone [ACD/IUPAC Name]
(3S,4R,5R)-4-({[(2S,3S,4S)-4-Acétyl-3-méthyltétrahydro-2-furanyl]oxy}méthyl)-3,5-diméthyldihydro-2(3H)-furanone [French] [ACD/IUPAC Name]
2(3H)-Furanone, 4-[[[(2S,3S,4S)-4-acetyltetrahydro-3-methyl-2-furanyl]oxy]methyl]dihydro-3,5-dimethyl-, (3S,4R,5R)- [ACD/Index Name]
Botryosphaerilactone B

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

Density: 1.1±0.1 g/cm3
Boiling Point: 414.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.8±3.0 kJ/mol
Flash Point: 223.6±16.7 °C
Index of Refraction: 1.483
Molar Refractivity: 68.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.22
ACD/LogD (pH 5.5): 0.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 33.39
ACD/LogD (pH 7.4): 0.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 33.39
Polar Surface Area: 62 Å2
Polarizability: 27.0±0.5 10-24cm3
Surface Tension: 37.7±5.0 dyne/cm
Molar Volume: 238.4±5.0 cm3

Click to predict properties on the Chemicalize site


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