ChemSpider 2D Image | Antibiotic E 1040 | C21H26N8O6S2

Antibiotic E 1040

  • Molecular FormulaC21H26N8O6S2
  • Average mass550.611 Da
  • Monoisotopic mass550.141663 Da
  • ChemSpider ID4576618

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(6R,7R)-7-{[(2E)-2-(5-Amino-1,2,4-thiadiazol-3-yl)-2-(methoxyimino)acetyl]amino}-3-[(4-carbamoyl-1-azoniabicyclo[2.2.2]oct-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-carboxylat [German] [ACD/IUPAC Name]
(6R,7R)-7-{[(2E)-2-(5-Amino-1,2,4-thiadiazol-3-yl)-2-(methoxyimino)acetyl]amino}-3-[(4-carbamoyl-1-azoniabicyclo[2.2.2]oct-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate [ACD/IUPAC Name]
(6R,7R)-7-{[(2E)-2-(5-Amino-1,2,4-thiadiazol-3-yl)-2-(méthoxyimino)acétyl]amino}-3-[(4-carbamoyl-1-azoniabicyclo[2.2.2]oct-1-yl)méthyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ène-2-carboxylate [French] [ACD/IUPAC Name]
105239-91-6 [RN]
1-Azoniabicyclo[2.2.2]octane, 4-(aminocarbonyl)-1-[[(6R,7R)-7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(methoxyimino)-1-oxoethyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl ]-, inner salt [ACD/Index Name]
1-azoniabicyclo[2.2.2]octane, 4-(aminocarbonyl)-1-[[(6R,7R)-7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(methoxyimino)-1-oxoethyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-, inner salt
Antibiotic E 1040
[6R-[6a,7b(Z)]]-4-(Aminocarbonyl)-1-[[7-[[(5-amino-1,2,4-thiadiazol-3-yl)(methoxyimino)acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-1-azoniabicyclo[2.2.2]octane inner salt
Cefclidin [INN] [Wiki]

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

E 1040 [DBID]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -4.43
ACD/LogD (pH 5.5): -3.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 260 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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