ChemSpider 2D Image | (2R,2'R)-2,2'-[Disulfanediylbis({(2R)-1-oxo-2-[(phenoxyacetyl)amino]-3,1-propanediyl}imino)]bis(3-methylbutanoic acid) | C32H42N4O10S2

(2R,2'R)-2,2'-[Disulfanediylbis({(2R)-1-oxo-2-[(phenoxyacetyl)amino]-3,1-propanediyl}imino)]bis(3-methylbutanoic acid)

  • Molecular FormulaC32H42N4O10S2
  • Average mass706.827 Da
  • Monoisotopic mass706.234253 Da
  • ChemSpider ID23149872

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2R,2'R)-2,2'-[Disulfandiylbis({(2R)-1-oxo-2-[(phenoxyacetyl)amino]-3,1-propandiyl}imino)]bis(3-methylbutansäure) [German] [ACD/IUPAC Name]
(2R,2'R)-2,2'-[Disulfanediylbis({(2R)-1-oxo-2-[(phenoxyacetyl)amino]-3,1-propanediyl}imino)]bis(3-methylbutanoic acid) [ACD/IUPAC Name]
Acide (2R,2'R)-2,2'-[disulfanediylbis({(2R)-1-oxo-2-[(2-phénoxyacétyl)amino]-3,1-propanediyl}imino)]bis(3-méthylbutanoïque) [French] [ACD/IUPAC Name]
2-[3-[2-(1-Carboxy-2-methyl-propylcarbamoyl)-2-(2-phenoxy-acetylamino)-ethyldisulfanyl]-2-(2-phenoxy-acetylamino)-propionylamino]-3-methyl-butyric acid

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1055.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 161.8±3.0 kJ/mol
Flash Point: 591.8±34.3 °C
Index of Refraction: 1.585
Molar Refractivity: 180.6±0.3 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 4
ACD/LogP: 7.05
ACD/LogD (pH 5.5): -0.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 260 Å2
Polarizability: 71.6±0.5 10-24cm3
Surface Tension: 55.9±3.0 dyne/cm
Molar Volume: 538.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement