ChemSpider 2D Image | Diphenylmethyl (2S,3R,6Z)-3-(acetoxymethyl)-6-(2-methoxy-2-oxoethylidene)-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4,4-dioxide | C26H25NO9S

Diphenylmethyl (2S,3R,6Z)-3-(acetoxymethyl)-6-(2-methoxy-2-oxoethylidene)-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4,4-dioxide

  • Molecular FormulaC26H25NO9S
  • Average mass527.543 Da
  • Monoisotopic mass527.125000 Da
  • ChemSpider ID8068786

  • 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

(2S,3R,6Z) 4,4-Dioxyde de 3-(acétoxyméthyl)-6-(2-méthoxy-2-oxoéthylidène)-3-méthyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate de diphénylméthyle [French] [ACD/IUPAC Name]
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3-[(acetyloxy)methyl]-6-(2-methoxy-2-oxoethylidene)-3-methyl-7-oxo-, diphenylmethyl ester, 4,4-dioxide, (2S,3R,6Z)- [ACD/Index Name]
Diphenylmethyl (2S,3R,6Z)-3-(acetoxymethyl)-6-(2-methoxy-2-oxoethylidene)-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4,4-dioxide [ACD/IUPAC Name]
Diphenylmethyl-(2S,3R,6Z)-3-(acetoxymethyl)-6-(2-methoxy-2-oxoethyliden)-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-2-carboxylat-4,4-dioxid [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: 725.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.0±3.0 kJ/mol
Flash Point: 392.8±32.9 °C
Index of Refraction: 1.628
Molar Refractivity: 130.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.66
ACD/LogD (pH 5.5): 2.88
ACD/BCF (pH 5.5): 91.47
ACD/KOC (pH 5.5): 882.04
ACD/LogD (pH 7.4): 2.88
ACD/BCF (pH 7.4): 91.47
ACD/KOC (pH 7.4): 882.04
Polar Surface Area: 142 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 64.9±5.0 dyne/cm
Molar Volume: 366.8±5.0 cm3

Click to predict properties on the Chemicalize site


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