ChemSpider 2D Image | (3S,4R,5R)-3-Allyl-4-[2-(7-octen-1-yloxy)ethyl]-3-(phenylsulfonyl)-5-propyldihydro-2(3H)-furanone | C26H38O5S

(3S,4R,5R)-3-Allyl-4-[2-(7-octen-1-yloxy)ethyl]-3-(phenylsulfonyl)-5-propyldihydro-2(3H)-furanone

  • Molecular FormulaC26H38O5S
  • Average mass462.642 Da
  • Monoisotopic mass462.243988 Da
  • ChemSpider ID24708756

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3S,4R,5R)-3-Allyl-4-[2-(7-octen-1-yloxy)ethyl]-3-(phenylsulfonyl)-5-propyldihydro-2(3H)-furanon [German] [ACD/IUPAC Name]
(3S,4R,5R)-3-Allyl-4-[2-(7-octen-1-yloxy)ethyl]-3-(phenylsulfonyl)-5-propyldihydro-2(3H)-furanone [ACD/IUPAC Name]
(3S,4R,5R)-3-Allyl-4-[2-(7-octén-1-yloxy)éthyl]-3-(phénylsulfonyl)-5-propyldihydro-2(3H)-furanone [French] [ACD/IUPAC Name]
2(3H)-Furanone, dihydro-4-[2-(7-octen-1-yloxy)ethyl]-3-(phenylsulfonyl)-3-(2-propen-1-yl)-5-propyl-, (3S,4R,5R)- [ACD/Index Name]
(3S,4R,5R)-3-(benzenesulfonyl)-4-[2-(oct-7-en-1-yloxy)ethyl]-3-(prop-2-en-1-yl)-5-propyloxolan-2-one
817617-01-9 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL497155/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 613.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.1±3.0 kJ/mol
Flash Point: 325.1±31.5 °C
Index of Refraction: 1.504
Molar Refractivity: 129.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 1
ACD/LogP: 5.62
ACD/LogD (pH 5.5): 5.07
ACD/BCF (pH 5.5): 4193.94
ACD/KOC (pH 5.5): 13635.37
ACD/LogD (pH 7.4): 5.07
ACD/BCF (pH 7.4): 4193.94
ACD/KOC (pH 7.4): 13635.37
Polar Surface Area: 78 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 36.4±3.0 dyne/cm
Molar Volume: 436.3±3.0 cm3

Click to predict properties on the Chemicalize site


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