ChemSpider 2D Image | (2S)-2-(3,5-Dioxo-1,2,4-triazolidin-4-yl)-3-hydroxypropanoic acid | C5H7N3O5

(2S)-2-(3,5-Dioxo-1,2,4-triazolidin-4-yl)-3-hydroxypropanoic acid

  • Molecular FormulaC5H7N3O5
  • Average mass189.126 Da
  • Monoisotopic mass189.038574 Da
  • ChemSpider ID96788505

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-(3,5-Dioxo-1,2,4-triazolidin-4-yl)-3-hydroxypropanoic acid [ACD/IUPAC Name]
(2S)-2-(3,5-Dioxo-1,2,4-triazolidin-4-yl)-3-hydroxypropansäure [German] [ACD/IUPAC Name]
1,2,4-Triazolidine-4-acetic acid, α-(hydroxymethyl)-3,5-dioxo-, (αS)- [ACD/Index Name]
Acide (2S)-2-(3,5-dioxo-1,2,4-triazolidin-4-yl)-3-hydroxypropanoïque [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.588
Molar Refractivity: 36.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -2.82
ACD/LogD (pH 5.5): -3.98
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 119 Å2
Polarizability: 14.6±0.5 10-24cm3
Surface Tension: 84.7±3.0 dyne/cm
Molar Volume: 109.1±3.0 cm3

Click to predict properties on the Chemicalize site


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