ChemSpider 2D Image | 1-Acetoxyethyl (6R,7S)-3-[(carbamoyloxy)methyl]-7-{[(2E)-2-(2-furyl)-2-(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate | C20H22N4O10S

1-Acetoxyethyl (6R,7S)-3-[(carbamoyloxy)methyl]-7-{[(2E)-2-(2-furyl)-2-(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

  • Molecular FormulaC20H22N4O10S
  • Average mass510.474 Da
  • Monoisotopic mass510.105652 Da
  • ChemSpider ID7982120

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(6R,7S)-3-[(Carbamoyloxy)méthyl]-7-{[(2E)-2-(2-furyl)-2-(méthoxyimino)acétyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ène-2-carboxylate de 1-acétoxyéthyle [French] [ACD/IUPAC Name]
1-Acetoxyethyl (6R,7S)-3-[(carbamoyloxy)methyl]-7-{[(2E)-2-(2-furyl)-2-(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate [ACD/IUPAC Name]
1-Acetoxyethyl-(6R,7S)-3-[(carbamoyloxy)methyl]-7-{[(2E)-2-(2-furyl)-2-(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-carboxylat [German] [ACD/IUPAC Name]
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[[(aminocarbonyl)oxy]methyl]-7-[[(2E)-2-(2-furanyl)-2-(methoxyimino)-1-oxoethyl]amino]-8-oxo-, 1-(acetyloxy)ethyl ester, (6R,7S)- [ACD/Index Name]

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: 1.665
Molar Refractivity: 117.5±0.5 cm3
#H bond acceptors: 14
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 0.85
ACD/LogD (pH 5.5): 0.75
ACD/BCF (pH 5.5): 2.20
ACD/KOC (pH 5.5): 61.10
ACD/LogD (pH 7.4): 0.70
ACD/BCF (pH 7.4): 1.96
ACD/KOC (pH 7.4): 54.45
Polar Surface Area: 214 Å2
Polarizability: 46.6±0.5 10-24cm3
Surface Tension: 63.8±7.0 dyne/cm
Molar Volume: 316.3±7.0 cm3

Click to predict properties on the Chemicalize site


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