ChemSpider 2D Image | (3S)-3-Hydroxyaspartic acid | C4H7NO5

(3S)-3-Hydroxyaspartic acid

  • Molecular FormulaC4H7NO5
  • Average mass149.102 Da
  • Monoisotopic mass149.032425 Da
  • ChemSpider ID21172559
  • defined stereocentres - 1 of 2 defined stereocentres


More details:






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

(3S)-3-Hydroxyasparaginsäure [German] [ACD/IUPAC Name]
(3S)-3-Hydroxyaspartic acid [ACD/IUPAC Name]
229-431-4 [EINECS]
6532-76-9 [RN]
Acide (3S)-3-hydroxyaspartique [French] [ACD/IUPAC Name]
Aspartic acid, 3-hydroxy-, (3S)- [ACD/Index Name]
erythro-3-hydroxy-DL-aspartic acid

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 368.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 71.2±6.0 kJ/mol
Flash Point: 176.8±27.9 °C
Index of Refraction: 1.584
Molar Refractivity: 28.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -0.51
ACD/LogD (pH 5.5): -4.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 121 Å2
Polarizability: 11.4±0.5 10-24cm3
Surface Tension: 106.4±3.0 dyne/cm
Molar Volume: 85.8±3.0 cm3

Click to predict properties on the Chemicalize site






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