ChemSpider 2D Image | (3S,4S)-3,4-Pyrrolidinedicarboxylic acid | C6H9NO4

(3S,4S)-3,4-Pyrrolidinedicarboxylic acid

  • Molecular FormulaC6H9NO4
  • Average mass159.140 Da
  • Monoisotopic mass159.053162 Da
  • ChemSpider ID32801614

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,4S)-3,4-Pyrrolidindicarbonsäure [German] [ACD/IUPAC Name]
(3S,4S)-3,4-Pyrrolidinedicarboxylic acid [ACD/IUPAC Name]
3,4-Pyrrolidinedicarboxylic acid, (3S,4S)- [ACD/Index Name]
Acide (3S,4S)-3,4-pyrrolidinedicarboxylique [French] [ACD/IUPAC Name]
1909288-34-1 [RN]
MFCD29764262
rac-(3R,4R)-pyrrolidine-3,4-dicarboxylic acid

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

Density: 1.5±0.1 g/cm3
Boiling Point: 420.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 73.9±6.0 kJ/mol
Flash Point: 208.0±28.7 °C
Index of Refraction: 1.535
Molar Refractivity: 34.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.84
ACD/LogD (pH 5.5): -3.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 87 Å2
Polarizability: 13.5±0.5 10-24cm3
Surface Tension: 64.2±3.0 dyne/cm
Molar Volume: 109.2±3.0 cm3

Click to predict properties on the Chemicalize site


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