ChemSpider 2D Image | (2S,3R)-3-(Methoxycarbonyl)-2-oxiranecarboxylic acid | C5H6O5

(2S,3R)-3-(Methoxycarbonyl)-2-oxiranecarboxylic acid

  • Molecular FormulaC5H6O5
  • Average mass146.098 Da
  • Monoisotopic mass146.021530 Da
  • ChemSpider ID24191297

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3R)-3-(Methoxycarbonyl)-2-oxirancarbonsäure [German] [ACD/IUPAC Name]
(2S,3R)-3-(Methoxycarbonyl)-2-oxiranecarboxylic acid [ACD/IUPAC Name]
2,3-Oxiranedicarboxylic acid, monomethyl ester, (2R,3S)- [ACD/Index Name]
Acide (2S,3R)-3-(méthoxycarbonyl)-2-oxiranecarboxylique [French] [ACD/IUPAC Name]
(2S,3R)-3-(methoxycarbonyl)oxirane-2-carboxylic acid
110115-16-7 [RN]
112574-71-7 [RN]
2,3-Oxiranedicarboxylic acid, monomethyl ester, (2R-cis)- (9CI)
2,3-Oxiranedicarboxylicacid,monomethylester,(2R-cis)-(9CI)
2,3-Oxiranedicarboxylicacid,monomethylester,cis-(9CI)

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

Density: 1.6±0.1 g/cm3
Boiling Point: 270.0±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 55.9±6.0 kJ/mol
Flash Point: 119.3±20.8 °C
Index of Refraction: 1.504
Molar Refractivity: 27.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.78
ACD/LogD (pH 5.5): -3.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 76 Å2
Polarizability: 11.1±0.5 10-24cm3
Surface Tension: 62.4±3.0 dyne/cm
Molar Volume: 94.1±3.0 cm3

Click to predict properties on the Chemicalize site


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