ChemSpider 2D Image | (1R,2S,3s)-3-[(S)-Amino(carboxy)methyl]-1,2-cyclopropanedicarboxylic acid | C7H9NO6

(1R,2S,3s)-3-[(S)-Amino(carboxy)methyl]-1,2-cyclopropanedicarboxylic acid

  • Molecular FormulaC7H9NO6
  • Average mass203.150 Da
  • Monoisotopic mass203.042984 Da
  • ChemSpider ID23211957

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,2S,3s)-3-[(S)-Amino(carboxy)methyl]-1,2-cyclopropandicarbonsäure [German] [ACD/IUPAC Name]
(1R,2S,3s)-3-[(S)-Amino(carboxy)methyl]-1,2-cyclopropanedicarboxylic acid [ACD/IUPAC Name]
(1R,2S,3s)-3-[(S)-amino(carboxy)methyl]cyclopropane-1,2-dicarboxylic acid
1,2-Cyclopropanedicarboxylic acid, 3-[(S)-aminocarboxymethyl]-, (1α,2α,3β)- [ACD/Index Name]
Acide (1R,2S,3s)-3-[(S)-amino(carboxy)méthyl]-1,2-cyclopropanedicarboxylique [French] [ACD/IUPAC Name]
(1R,2S,3R)-3-((S)-Amino-carboxy-methyl)-cyclopropane-1,2-dicarboxylic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL334639/

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

Density: 1.8±0.1 g/cm3
Boiling Point: 503.9±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 84.6±6.0 kJ/mol
Flash Point: 258.5±27.3 °C
Index of Refraction: 1.643
Molar Refractivity: 40.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -1.87
ACD/LogD (pH 5.5): -4.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 138 Å2
Polarizability: 16.0±0.5 10-24cm3
Surface Tension: 119.2±3.0 dyne/cm
Molar Volume: 111.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement