Found 88 results

Search term: MF = 'C_{6}H_{9}N_{3}O_{5}'
ChemSpider 2D Image | (2S)-2-Amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-4-yl)-2-methylpropanoic acid | C6H9N3O5

(2S)-2-Amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-4-yl)-2-methylpropanoic acid

  • Molecular FormulaC6H9N3O5
  • Average mass203.153 Da
  • Monoisotopic mass203.054214 Da
  • ChemSpider ID23178088

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-4-yl)-2-methylpropanoic acid [ACD/IUPAC Name]
(2S)-2-Amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-4-yl)-2-methylpropansäure [German] [ACD/IUPAC Name]
1,2,4-Oxadiazolidine-4-propanoic acid, α-amino-α-methyl-3,5-dioxo-, (αS)- [ACD/Index Name]
Acide (2S)-2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-4-yl)-2-méthylpropanoïque [French] [ACD/IUPAC Name]
2-Amino-3-(3-hydroxy-5-oxo-[1,2,4]oxadiazol-4-yl)-2-methyl-propionic acid(S-MetQUIS)
CHEMBL313713
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL313713/

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.560
Molar Refractivity: 41.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.51
ACD/LogD (pH 5.5): -3.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 122 Å2
Polarizability: 16.5±0.5 10-24cm3
Surface Tension: 71.2±3.0 dyne/cm
Molar Volume: 128.8±3.0 cm3

Click to predict properties on the Chemicalize site


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