ChemSpider 2D Image | 3-{[4-(2-{6-[(2,2-Dimethyl-4-oxo-3,9,12-trioxa-5-azatetradecan-14-yl)amino]-2-pyridinyl}ethyl)benzoyl]amino}-N-(mesitylsulfonyl)-L-alanine | C38H53N5O9S

3-{[4-(2-{6-[(2,2-Dimethyl-4-oxo-3,9,12-trioxa-5-azatetradecan-14-yl)amino]-2-pyridinyl}ethyl)benzoyl]amino}-N-(mesitylsulfonyl)-L-alanine

  • Molecular FormulaC38H53N5O9S
  • Average mass755.920 Da
  • Monoisotopic mass755.356384 Da
  • ChemSpider ID9506635

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-{[4-(2-{6-[(2,2-Dimethyl-4-oxo-3,9,12-trioxa-5-azatetradecan-14-yl)amino]-2-pyridinyl}ethyl)benzoyl]amino}-N-(mesitylsulfonyl)-L-alanin [German] [ACD/IUPAC Name]
3-{[4-(2-{6-[(2,2-Dimethyl-4-oxo-3,9,12-trioxa-5-azatetradecan-14-yl)amino]-2-pyridinyl}ethyl)benzoyl]amino}-N-(mesitylsulfonyl)-L-alanine [ACD/IUPAC Name]
3-{[4-(2-{6-[(2,2-Diméthyl-4-oxo-3,9,12-trioxa-5-azatétradécan-14-yl)amino]-2-pyridinyl}éthyl)benzoyl]amino}-N-(mésitylsulfonyl)-L-alanine [French] [ACD/IUPAC Name]
L-Alanine, 3-[[4-[2-[6-[(13,13-dimethyl-11-oxo-3,6,12-trioxa-10-azatetradec-1-yl)amino]-2-pyridinyl]ethyl]benzoyl]amino]-N-[(2,4,6-trimethylphenyl)sulfonyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.570
Molar Refractivity: 201.7±0.4 cm3
#H bond acceptors: 14
#H bond donors: 5
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 4
ACD/LogP: 5.60
ACD/LogD (pH 5.5): 2.68
ACD/BCF (pH 5.5): 16.06
ACD/KOC (pH 5.5): 49.09
ACD/LogD (pH 7.4): 1.80
ACD/BCF (pH 7.4): 2.13
ACD/KOC (pH 7.4): 6.51
Polar Surface Area: 203 Å2
Polarizability: 80.0±0.5 10-24cm3
Surface Tension: 53.3±3.0 dyne/cm
Molar Volume: 614.5±3.0 cm3

Click to predict properties on the Chemicalize site


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