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Search term: 40256806 (Found by CSID)
ChemSpider 2D Image | (2S)-2-{(2S,5R)-5-[(2R)-2-Acetoxybutyl]tetrahydro-2-furanyl}propanoic acid | C13H22O5

(2S)-2-{(2S,5R)-5-[(2R)-2-Acetoxybutyl]tetrahydro-2-furanyl}propanoic acid

  • Molecular FormulaC13H22O5
  • Average mass258.311 Da
  • Monoisotopic mass258.146729 Da
  • ChemSpider ID40256806

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S)-2-{(2S,5R)-5-[(2R)-2-Acetoxybutyl]tetrahydro-2-furanyl}propanoic acid [ACD/IUPAC Name]
(2S)-2-{(2S,5R)-5-[(2R)-2-Acetoxybutyl]tetrahydro-2-furanyl}propansäure [German] [ACD/IUPAC Name]
2-Furanacetic acid, 5-[(2R)-2-(acetyloxy)butyl]tetrahydro-α-methyl-, (αS,2S,5R)- [ACD/Index Name]
Acide (2S)-2-{(2S,5R)-5-[(2R)-2-acétoxybutyl]tétrahydro-2-furanyl}propanoïque [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 378.1±7.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 68.7±6.0 kJ/mol
Flash Point: 136.1±11.7 °C
Index of Refraction: 1.468
Molar Refractivity: 65.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.16
ACD/LogD (pH 5.5): 0.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.23
ACD/LogD (pH 7.4): -1.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 73 Å2
Polarizability: 25.8±0.5 10-24cm3
Surface Tension: 38.1±3.0 dyne/cm
Molar Volume: 234.0±3.0 cm3

Click to predict properties on the Chemicalize site


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