ChemSpider 2D Image | (5-Methyl-2-oxo-1,3-dioxol-4-yl)methyl 7-{[(alanyloxy)(phenyl)acetyl]amino}-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate | C27H27N5O9S3

(5-Methyl-2-oxo-1,3-dioxol-4-yl)methyl 7-{[(alanyloxy)(phenyl)acetyl]amino}-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

  • Molecular FormulaC27H27N5O9S3
  • Average mass661.726 Da
  • Monoisotopic mass661.097107 Da
  • ChemSpider ID59260

More details:

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

(5-Methyl-2-oxo-1,3-dioxol-4-yl)methyl 7-{[(alanyloxy)(phenyl)acetyl]amino}-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate [ACD/IUPAC Name]
(5-Methyl-2-oxo-1,3-dioxol-4-yl)methyl-7-{[(alanyloxy)(phenyl)acetyl]amino}-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-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, 7-[[2-(2-amino-1-oxopropoxy)-2-phenylacetyl]amino]-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-, (5-methyl-2-oxo-1,3-dioxol-4-yl)methy l ester [ACD/Index Name]
7-{[2-(Alanyloxy)-2-phénylacétyl]amino}-3-{[(5-méthyl-1,3,4-thiadiazol-2-yl)sulfanyl]méthyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ène-2-carboxylate de (5-méthyl-2-oxo-1,3-dioxol-4-yl)méthyle [French] [ACD/IUPAC Name]
(5-METHYL-2-OXO-1,3-DIOXOL-4-YL)METHYL 7-{2-[(2-AMINOPROPANOYL)OXY]-2-PHENYLACETAMIDO}-3-{[(5-METHYL-1,3,4-THIADIAZOL-2-YL)SULFANYL]METHYL}-8-OXO-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLATE
cefcanel daloxate [INN]
Cefcanel daloxato [Spanish]
Cefcanelum daloxatum [Latin]

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: 1.692
Molar Refractivity: 160.6±0.4 cm3
#H bond acceptors: 14
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 2.85
ACD/LogD (pH 5.5): -0.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.65
ACD/LogD (pH 7.4): 1.06
ACD/BCF (pH 7.4): 3.14
ACD/KOC (pH 7.4): 64.17
Polar Surface Area: 268 Å2
Polarizability: 63.7±0.5 10-24cm3
Surface Tension: 85.1±5.0 dyne/cm
Molar Volume: 419.2±5.0 cm3

Click to predict properties on the Chemicalize site


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