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

(1S)-1-Acetoxyethyl (6R,7R)-3-[(carbamoyloxy)methyl]-7-{[(2Z)-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 ID7982119
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(1S)-1-Acetoxyethyl (6R,7R)-3-[(carbamoyloxy)methyl]-7-{[(2Z)-2-(2-furyl)-2-(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate [ACD/IUPAC Name]
(1S)-1-Acetoxyethyl-(6R,7R)-3-[(carbamoyloxy)methyl]-7-{[(2Z)-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]
(6R,7R)-3-[(Carbamoyloxy)méthyl]-7-{[(2Z)-2-(2-furyl)-2-(méthoxyimino)acétyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ène-2-carboxylate de (1S)-1-acétoxyéthyle [French] [ACD/IUPAC Name]
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[[(aminocarbonyl)oxy]methyl]-7-[[(2Z)-2-(2-furanyl)-2-(methoxyimino)-1-oxoethyl]amino]-8-oxo-, (1S)-1-(acetyloxy)ethyl ester, (6R,7R)- [ACD/Index Name]
64599-29-7 [RN]
(6R,7R)-3-(carbamoyloxymethyl)-7-[[(2Z)-2-(2-furyl)-2-methoxyimino-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [(1S)-1-acetoxyethyl] ester
(6R,7R)-3-(carbamoyloxymethyl)-7-[[(2Z)-2-(2-furyl)-2-methoxyimino-acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [(1S)-1-acetoxyethyl] ester
[(1S)-1-acetoxyethyl] (6R,7R)-3-(carbamoyloxymethyl)-7-[[(2Z)-2-(2-furyl)-2-methoxyimino-acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
[(1S)-1-acetyloxyethyl] (6R,7R)-3-(aminocarbonyloxymethyl)-7-[[(2Z)-2-furan-2-yl-2-methoxyimino-ethanoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
[(1S)-1-acetyloxyethyl] (6R,7R)-3-(carbamoyloxymethyl)-7-[[(2Z)-2-furan-2-yl-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

LY2W12L84H [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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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