Found 12 results

Search term: MF = 'C_{14}H_{18}N_{2}O_{9}S'
ChemSpider 2D Image | N-{[(6R,7S)-3-(Acetoxymethyl)-7-methoxy-5,5-dioxido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl]carbonyl}-N-methylglycine | C14H18N2O9S

N-{[(6R,7S)-3-(Acetoxymethyl)-7-methoxy-5,5-dioxido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl]carbonyl}-N-methylglycine

  • Molecular FormulaC14H18N2O9S
  • Average mass390.366 Da
  • Monoisotopic mass390.073303 Da
  • ChemSpider ID23165553

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Glycine, N-[[(6R,7S)-3-[(acetyloxy)methyl]-7-methoxy-5,5-dioxido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl]carbonyl]-N-methyl- [ACD/Index Name]
N-({(6R,7S)-3-[(acetyloxy)methyl]-7-methoxy-5,5-dioxido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl}carbonyl)-N-methylglycine
N-{[(6R,7S)-3-(Acetoxymethyl)-7-methoxy-5,5-dioxido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl]carbonyl}-N-methylglycin [German] [ACD/IUPAC Name]
N-{[(6R,7S)-3-(Acetoxymethyl)-7-methoxy-5,5-dioxido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl]carbonyl}-N-methylglycine [ACD/IUPAC Name]
N-{[(6R,7S)-3-(Acétoxyméthyl)-7-méthoxy-8-oxo-5,5-dioxydo-5-thia-1-azabicyclo[4.2.0]oct-2-én-2-yl]carbonyl}-N-méthylglycine [French] [ACD/IUPAC Name]
[((6R,7S)-3-Acetoxymethyl-7-methoxy-5,5,8-trioxo-5λ*6*-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carbonyl)-methyl-amino]-acetic acid
[(3-Acetoxymethyl-7-methoxy-5,5,8-trioxo-5λ*6*-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carbonyl)-methyl-amino]-acetic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL306251/

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

Density: 1.6±0.1 g/cm3
Boiling Point: 776.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 122.9±6.0 kJ/mol
Flash Point: 423.3±32.9 °C
Index of Refraction: 1.600
Molar Refractivity: 84.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -1.92
ACD/LogD (pH 5.5): -4.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 156 Å2
Polarizability: 33.4±0.5 10-24cm3
Surface Tension: 72.6±5.0 dyne/cm
Molar Volume: 246.1±5.0 cm3

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