ChemSpider 2D Image | 1,2-Ethanediylbis{carbamoyl[(2R,4S)-5,5-dimethyl-1,3-thiazolidine-4,2-diyl](2R)-2-[(phenylacetyl)amino]-2,1-ethanediyl} dibenzoate | C48H56N6O8S2

1,2-Ethanediylbis{carbamoyl[(2R,4S)-5,5-dimethyl-1,3-thiazolidine-4,2-diyl](2R)-2-[(phenylacetyl)amino]-2,1-ethanediyl} dibenzoate

  • Molecular FormulaC48H56N6O8S2
  • Average mass909.124 Da
  • Monoisotopic mass908.360107 Da
  • ChemSpider ID400604

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

1,2-Ethandiylbis{carbamoyl[(2R,4S)-5,5-dimethyl-1,3-thiazolidin-4,2-diyl](2R)-2-[(phenylacetyl)amino]-2,1-ethandiyl}-dibenzoat [German] [ACD/IUPAC Name]
1,2-Ethanediylbis{carbamoyl[(2R,4S)-5,5-dimethyl-1,3-thiazolidine-4,2-diyl](2R)-2-[(phenylacetyl)amino]-2,1-ethanediyl} dibenzoate [ACD/IUPAC Name]
4-Thiazolidinecarboxamide, N,N'-1,2-ethanediylbis[2-[(1R)-2-(benzoyloxy)-1-[(2-phenylacetyl)amino]ethyl]-5,5-dimethyl-, (2R,4S,2'R,4'S)- [ACD/Index Name]
Dibenzoate de 1,2-éthanediylbis{carbamoyl[(2R,4S)-5,5-diméthyl-1,3-thiazolidine-4,2-diyl](2R)-2-[(2-phénylacétyl)amino]-2,1-éthanediyle} [French] [ACD/IUPAC Name]
ethane-1,2-diylbis{carbamoyl[(2R,4S)-5,5-dimethyl-1,3-thiazolidine-4,2-diyl](2R)-2-[(phenylacetyl)amino]ethane-2,1-diyl} dibenzoate
[2R-[2α(R*),4β]]-N,N-[1,2-Ethanediyl]bis[2-benzoyloxyl-5,5-dimethyl-1-[[(phenylacetyl)amino]ethyl]-4-thiazolidinecarboxamide]
2-[1-benzylcarboxamido-2-phenylcarbonyloxy-(1R)-ethyl]-4-{2-[2-[1-benzylcarboxamido-2-phenylcarbonyloxy-(1R)-ethyl]-5,5-dimethyl-(2R,4S)-1,3-thiazolan-4-ylcarboxamido]ethylcarbamoyl}-5,5-dimethyl-(2R,4S)-1,3-thiazolane
Penicillin Et(NH)2 dimer

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

AIDS005381 [DBID]
AIDS-005381 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 1135.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 167.9±3.0 kJ/mol
Flash Point: 640.6±34.3 °C
Index of Refraction: 1.595
Molar Refractivity: 248.8±0.3 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 4
ACD/LogP: 6.38
ACD/LogD (pH 5.5): 4.34
ACD/BCF (pH 5.5): 517.90
ACD/KOC (pH 5.5): 1159.64
ACD/LogD (pH 7.4): 5.77
ACD/BCF (pH 7.4): 13910.74
ACD/KOC (pH 7.4): 31147.69
Polar Surface Area: 244 Å2
Polarizability: 98.6±0.5 10-24cm3
Surface Tension: 50.8±3.0 dyne/cm
Molar Volume: 732.0±3.0 cm3

Click to predict properties on the Chemicalize site


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