ChemSpider 2D Image | (3R)-3-Hydroxy-4-methoxy-4-oxobutanoic acid | C5H8O5

(3R)-3-Hydroxy-4-methoxy-4-oxobutanoic acid

  • Molecular FormulaC5H8O5
  • Average mass148.114 Da
  • Monoisotopic mass148.037170 Da
  • ChemSpider ID21179973
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(3R)-3-Hydroxy-4-methoxy-4-oxobutanoic acid [ACD/IUPAC Name]
(3R)-3-Hydroxy-4-methoxy-4-oxobutansäure [German] [ACD/IUPAC Name]
Acide (3R)-3-hydroxy-4-méthoxy-4-oxobutanoïque [French] [ACD/IUPAC Name]
Butanedioic acid, 2-hydroxy-, 1-methyl ester, (2R)- [ACD/Index Name]
(2S)-
(2S)-Hydroxybutanedioic Acid 1-Methyl Ester
(R)-2-HYDROXYSUCCINIC ACID METHYL ESTER
(R)-3-Hydroxy-4-methoxy-4-oxobutanoic acid
(S)-2-HYDROXYSUCCINIC ACID METHYL ESTER
66212-45-1 [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 318.0±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 64.9±6.0 kJ/mol
Flash Point: 138.7±18.6 °C
Index of Refraction: 1.473
Molar Refractivity: 30.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -1.36
ACD/LogD (pH 5.5): -2.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 84 Å2
Polarizability: 11.9±0.5 10-24cm3
Surface Tension: 55.1±3.0 dyne/cm
Molar Volume: 107.1±3.0 cm3

Click to predict properties on the Chemicalize site






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