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Search term: WGAHBMKAEWUQKL-OPRDCNLKSA-N (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2R)-4-{[(2R)-4-Methoxy-4-oxo-2-butanyl]oxy}-4-oxo-2-butanyl 3-hydroxybutanoate | C13H22O7

(2R)-4-{[(2R)-4-Methoxy-4-oxo-2-butanyl]oxy}-4-oxo-2-butanyl 3-hydroxybutanoate

  • Molecular FormulaC13H22O7
  • Average mass290.310 Da
  • Monoisotopic mass290.136566 Da
  • ChemSpider ID61712257

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(2R)-4-{[(2R)-4-Methoxy-4-oxo-2-butanyl]oxy}-4-oxo-2-butanyl (3R)-3-hydroxybutanoate [ACD/IUPAC Name]
(2R)-4-{[(2R)-4-Methoxy-4-oxo-2-butanyl]oxy}-4-oxo-2-butanyl 3-hydroxybutanoate [ACD/IUPAC Name]
(2R)-4-{[(2R)-4-Methoxy-4-oxo-2-butanyl]oxy}-4-oxo-2-butanyl-(3R)-3-hydroxybutanoat [German] [ACD/IUPAC Name]
(2R)-4-{[(2R)-4-Methoxy-4-oxo-2-butanyl]oxy}-4-oxo-2-butanyl-3-hydroxybutanoat [German] [ACD/IUPAC Name]
(3R)-3-Hydroxybutanoate de (2R)-4-{[(2R)-4-méthoxy-4-oxo-2-butanyl]oxy}-4-oxo-2-butanyle [French] [ACD/IUPAC Name]
3-Hydroxybutanoate de (2R)-4-{[(2R)-4-méthoxy-4-oxo-2-butanyl]oxy}-4-oxo-2-butanyle [French] [ACD/IUPAC Name]
Butanoic acid, 3-(3-hydroxy-1-oxobutoxy)-, (1R)-3-methoxy-1-methyl-3-oxopropyl ester, (3R)- [ACD/Index Name]
Butanoic acid, 3-[(3R)-3-hydroxy-1-oxobutoxy]-, (1R)-3-methoxy-1-methyl-3-oxopropyl ester, (3R)- [ACD/Index Name]
(1r)-3-{[(1r)-3-Methoxy-1-Methyl-3-Oxopropyl]oxy}-1-Methyl-3-Oxopropyl (3r)-3-Hydroxybutanoate
RB3

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

Density: 1.2±0.1 g/cm3
Boiling Point: 311.4±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 64.0±6.0 kJ/mol
Flash Point: 100.3±15.8 °C
Index of Refraction: 1.459
Molar Refractivity: 69.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 0.68
ACD/LogD (pH 5.5): 0.83
ACD/BCF (pH 5.5): 2.50
ACD/KOC (pH 5.5): 67.14
ACD/LogD (pH 7.4): 0.83
ACD/BCF (pH 7.4): 2.50
ACD/KOC (pH 7.4): 67.14
Polar Surface Area: 99 Å2
Polarizability: 27.4±0.5 10-24cm3
Surface Tension: 39.5±3.0 dyne/cm
Molar Volume: 252.2±3.0 cm3

Click to predict properties on the Chemicalize site


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