ChemSpider 2D Image | (2'R,4'R)-2,2'-[(4R,11R)-6,9-Dibenzyl-2,5,10,13-tetraoxo-1,14-diphenyl-3,6,9,12-tetraazatetradecane-4,11-diyl]bis(5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid) | C48H56N6O8S2

(2'R,4'R)-2,2'-[(4R,11R)-6,9-Dibenzyl-2,5,10,13-tetraoxo-1,14-diphenyl-3,6,9,12-tetraazatetradecane-4,11-diyl]bis(5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid)

  • Molecular FormulaC48H56N6O8S2
  • Average mass909.124 Da
  • Monoisotopic mass908.360107 Da
  • ChemSpider ID107448693

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

(2'R,4'R)-2,2'-[(4R,11R)-6,9-Dibenzyl-2,5,10,13-tetraoxo-1,14-diphenyl-3,6,9,12-tetraazatetradecan-4,11-diyl]bis(5,5-dimethyl-1,3-thiazolidin-4-carbonsäure) [German] [ACD/IUPAC Name]
(2'R,4'R)-2,2'-[(4R,11R)-6,9-Dibenzyl-2,5,10,13-tetraoxo-1,14-diphenyl-3,6,9,12-tetraazatetradecane-4,11-diyl]bis(5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid) [ACD/IUPAC Name]
4-Thiazolidinecarboxylic acid, 2,2'-[(1R,8R)-2,7-dioxo-1,8-bis[(2-phenylacetyl)amino]-3,6-bis(phenylmethyl)-3,6-diazaoctane-1,8-diyl]bis[5,5-dimethyl-, (2'R,4'R)- [ACD/Index Name]
Acide (2'R,4'R)-2,2'-[(4R,11R)-6,9-dibenzyl-2,5,10,13-tétraoxo-1,14-diphényl-3,6,9,12-tétraazatétradécane-4,11-diyl]bis(5,5-diméthyl-1,3-thiazolidine-4-carboxylique) [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1148.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 177.6±3.0 kJ/mol
Flash Point: 648.6±34.3 °C
Index of Refraction: 1.617
Molar Refractivity: 247.7±0.3 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 4
ACD/LogP: 7.46
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 11.99
ACD/KOC (pH 5.5): 39.53
ACD/LogD (pH 7.4): 1.69
ACD/BCF (pH 7.4): 1.80
ACD/KOC (pH 7.4): 5.93
Polar Surface Area: 248 Å2
Polarizability: 98.2±0.5 10-24cm3
Surface Tension: 56.8±3.0 dyne/cm
Molar Volume: 707.9±3.0 cm3

Click to predict properties on the Chemicalize site


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