ChemSpider 2D Image | Tobicillin | C27H30N2O6S

Tobicillin

  • Molecular FormulaC27H30N2O6S
  • Average mass510.602 Da
  • Monoisotopic mass510.182465 Da
  • ChemSpider ID187462

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S,5R,6R)-3,3-Diméthyl-7-oxo-6-[(2-phénylacétyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate de 3-[(isobutyryloxy)méthyl]phényle [French] [ACD/IUPAC Name]
151287-22-8 [RN]
2P43Z53ESB
3-[(2-Methyl-1-oxopropoxy)methyl]phenyl 3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]- (2S,5R,6R)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
3-[(Isobutyryloxy)methyl]phenyl (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate [ACD/IUPAC Name]
3-[(Isobutyryloxy)methyl]phenyl-(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptan-2-carboxylat [German] [ACD/IUPAC Name]
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-, 3-[(2-methyl-1-oxopropoxy)methyl]phenyl ester, (2S,5R,6R)- [ACD/Index Name]
Tobicillin [INN] [JAN]
tobicillina [Spanish] [INN]
tobicilline [French] [INN]
More...

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

7660 [DBID]
D01214 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 700.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.6±3.0 kJ/mol
Flash Point: 377.6±32.9 °C
Index of Refraction: 1.623
Molar Refractivity: 136.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.33
ACD/LogD (pH 5.5): 3.79
ACD/BCF (pH 5.5): 447.26
ACD/KOC (pH 5.5): 2747.11
ACD/LogD (pH 7.4): 3.79
ACD/BCF (pH 7.4): 447.26
ACD/KOC (pH 7.4): 2747.10
Polar Surface Area: 127 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 59.9±5.0 dyne/cm
Molar Volume: 386.2±5.0 cm3

Click to predict properties on the Chemicalize site


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