ChemSpider 2D Image | cefcanel daloxate | C27H27N5O9S3

cefcanel daloxate

  • Molecular FormulaC27H27N5O9S3
  • Average mass661.726 Da
  • Monoisotopic mass661.097107 Da
  • ChemSpider ID156406

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(5-Methyl-2-oxo-1,3-dioxol-4-yl)methyl (6R,7R)-7-{[(2R)-2-(L-alanyloxy)-2-phenylacetyl]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-carboxyla te [ACD/IUPAC Name]
(5-Methyl-2-oxo-1,3-dioxol-4-yl)methyl-(6R,7R)-7-{[(2R)-2-(L-alanyloxy)-2-phenylacetyl]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]
(6R,7R)-7-{[(2R)-2-(L-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)m éthyle [French] [ACD/IUPAC Name]
2,3-Dihydroxy-2-butenyl (6R,7R)-7-((R)-Mandelamido)-3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Cyclic 2,3-Carbonate Ester with L-Alanine
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2R)-2-[(2S)-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)methyl ester, (6R,7R)- [ACD/Index Name]
97275-40-6 [RN]
cefcanel daloxate [INN]
D9693UHF82
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl (6R,7R)-7-[[(2R)-2-[(2S)-2-aminopropanoyl]oxy-2-phenylacetyl]amino]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
cefcanel daloxato
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

6293 [DBID]

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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