ChemSpider 2D Image | (3S)-3-Hydroxy-5-methoxy-3-methyl-5-oxopentanoate | C7H11O5

(3S)-3-Hydroxy-5-methoxy-3-methyl-5-oxopentanoate

  • Molecular FormulaC7H11O5
  • Average mass175.160 Da
  • Monoisotopic mass175.061203 Da
  • ChemSpider ID57528402

  • Charge - Charge

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-Hydroxy-5-methoxy-3-methyl-5-oxopentanoat [German] [ACD/IUPAC Name]
(3S)-3-Hydroxy-5-methoxy-3-methyl-5-oxopentanoate [ACD/IUPAC Name]
(3S)-3-Hydroxy-5-méthoxy-3-méthyl-5-oxopentanoate [French] [ACD/IUPAC Name]
Pentanedioic acid, 3-hydroxy-3-methyl-, monomethyl ester, ion(1-), (3S)- [ACD/Index Name]
56652-40-5 [RN]

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

Density:
Boiling Point: 354.4±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 69.4±6.0 kJ/mol
Flash Point: 146.2±18.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.97
ACD/LogD (pH 5.5): -1.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 87 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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