ChemSpider 2D Image | Diphenylmethyl (6R,7R)-3-{(E)-[1-(cyclopropylmethyl)-2-oxo-3-pyrrolidinylidene]methyl}-7-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate 5-oxide | C34H37N3O7S

Diphenylmethyl (6R,7R)-3-{(E)-[1-(cyclopropylmethyl)-2-oxo-3-pyrrolidinylidene]methyl}-7-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate 5-oxide

  • Molecular FormulaC34H37N3O7S
  • Average mass631.739 Da
  • Monoisotopic mass631.235229 Da
  • ChemSpider ID8731396

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(6R,7R) 5-Oxyde de 3-{(E)-[1-(cyclopropylméthyl)-2-oxo-3-pyrrolidinylidène]méthyl}-7-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ène-2-carboxylate de diphénylméth yle [French] [ACD/IUPAC Name]
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(E)-[1-(cyclopropylmethyl)-2-oxo-3-pyrrolidinylidene]methyl]-7-[[(1,1-dimethylethoxy)carbonyl]amino]-8-oxo-, diphenylmethyl ester, 5-oxide, (6 R,7R)- [ACD/Index Name]
Diphenylmethyl (6R,7R)-3-{(E)-[1-(cyclopropylmethyl)-2-oxo-3-pyrrolidinylidene]methyl}-7-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate 5-oxide [ACD/IUPAC Name]
Diphenylmethyl-(6R,7R)-3-{(E)-[1-(cyclopropylmethyl)-2-oxo-3-pyrrolidinyliden]methyl}-7-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-carboxylat-5-oxid [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 877.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 127.5±3.0 kJ/mol
Flash Point: 484.2±34.3 °C
Index of Refraction: 1.672
Molar Refractivity: 168.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 1.58
ACD/LogD (pH 5.5): 2.23
ACD/BCF (pH 5.5): 29.40
ACD/KOC (pH 5.5): 391.43
ACD/LogD (pH 7.4): 2.23
ACD/BCF (pH 7.4): 29.25
ACD/KOC (pH 7.4): 389.49
Polar Surface Area: 142 Å2
Polarizability: 66.8±0.5 10-24cm3
Surface Tension: 71.5±5.0 dyne/cm
Molar Volume: 450.0±5.0 cm3

Click to predict properties on the Chemicalize site


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