ChemSpider 2D Image | Dimethyl (2S,5S,9S,12S)-5,9-dibenzyl-2,12-diisopropyl-4,7,10-trioxo-3,6,8,11-tetraazatridecane-1,13-dioate | C31H42N4O7

Dimethyl (2S,5S,9S,12S)-5,9-dibenzyl-2,12-diisopropyl-4,7,10-trioxo-3,6,8,11-tetraazatridecane-1,13-dioate

  • Molecular FormulaC31H42N4O7
  • Average mass582.688 Da
  • Monoisotopic mass582.305359 Da
  • ChemSpider ID401500

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,5S,9S,12S)-5,9-Dibenzyl-2,12-diisopropyl-4,7,10-trioxo-3,6,8,11-tétraazatridécane-1,13-dioate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl (2S,5S,9S,12S)-5,9-dibenzyl-2,12-diisopropyl-4,7,10-trioxo-3,6,8,11-tetraazatridecane-1,13-dioate [ACD/IUPAC Name]
Dimethyl-(2S,5S,9S,12S)-5,9-dibenzyl-2,12-diisopropyl-4,7,10-trioxo-3,6,8,11-tetraazatridecan-1,13-dioat [German] [ACD/IUPAC Name]
Carbonyl-bis(L-phenylalanyl-L-valine methyl ester)

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

AIDS006694 [DBID]
AIDS-006694 [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: 810.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.8±3.0 kJ/mol
Flash Point: 443.8±34.3 °C
Index of Refraction: 1.541
Molar Refractivity: 156.8±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 4.16
ACD/LogD (pH 5.5): 3.86
ACD/BCF (pH 5.5): 504.86
ACD/KOC (pH 5.5): 2995.91
ACD/LogD (pH 7.4): 3.86
ACD/BCF (pH 7.4): 504.55
ACD/KOC (pH 7.4): 2994.07
Polar Surface Area: 152 Å2
Polarizability: 62.2±0.5 10-24cm3
Surface Tension: 45.0±3.0 dyne/cm
Molar Volume: 499.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement