ChemSpider 2D Image | (2E)-2-(2-Amino-1,3-thiazol-4-yl)-N-[(3S)-1-(2-hydroxy-3,4-dioxo-1-cyclobuten-1-yl)-2-oxo-3-azetidinyl]-2-(methoxyimino)acetamide | C13H11N5O6S

(2E)-2-(2-Amino-1,3-thiazol-4-yl)-N-[(3S)-1-(2-hydroxy-3,4-dioxo-1-cyclobuten-1-yl)-2-oxo-3-azetidinyl]-2-(methoxyimino)acetamide

  • Molecular FormulaC13H11N5O6S
  • Average mass365.321 Da
  • Monoisotopic mass365.042999 Da
  • ChemSpider ID25063020

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2E)-2-(2-Amino-1,3-thiazol-4-yl)-N-[(3S)-1-(2-hydroxy-3,4-dioxo-1-cyclobuten-1-yl)-2-oxo-3-azetidinyl]-2-(methoxyimino)acetamid [German] [ACD/IUPAC Name]
(2E)-2-(2-Amino-1,3-thiazol-4-yl)-N-[(3S)-1-(2-hydroxy-3,4-dioxo-1-cyclobuten-1-yl)-2-oxo-3-azetidinyl]-2-(methoxyimino)acetamide [ACD/IUPAC Name]
(2E)-2-(2-Amino-1,3-thiazol-4-yl)-N-[(3S)-1-(2-hydroxy-3,4-dioxo-1-cyclobutén-1-yl)-2-oxo-3-azétidinyl]-2-(méthoxyimino)acétamide [French] [ACD/IUPAC Name]
4-Thiazoleacetamide, 2-amino-N-[(3S)-1-(2-hydroxy-3,4-dioxo-1-cyclobuten-1-yl)-2-oxo-3-azetidinyl]-α-(methoxyimino)-, (αE)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL1205004/

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

Density: 2.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.859
Molar Refractivity: 83.1±0.5 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -0.58
ACD/LogD (pH 5.5): -4.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 193 Å2
Polarizability: 33.0±0.5 10-24cm3
Surface Tension: 98.8±7.0 dyne/cm
Molar Volume: 184.6±7.0 cm3

Click to predict properties on the Chemicalize site


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