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Search term: JIYOXFLRVUFAQT-QHCPKHFHSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (2S)-3-[4-[2-[6-(cyclopropylmethylamino)-2-pyridyl]ethoxy]phenyl]-2-[(2,6-dichlorobenzoyl)amino]propanoic acid | C27H27Cl2N3O4

(2S)-3-[4-[2-[6-(cyclopropylmethylamino)-2-pyridyl]ethoxy]phenyl]-2-[(2,6-dichlorobenzoyl)amino]propanoic acid

  • Molecular FormulaC27H27Cl2N3O4
  • Average mass528.427 Da
  • Monoisotopic mass527.137878 Da
  • ChemSpider ID28507584

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

L-Tyrosine, O-[2-[6-[(cyclopropylmethyl)amino]-2-pyridinyl]ethyl]-N-(2,6-dichlorobenzoyl)- [ACD/Index Name]
O-(2-{6-[(Cyclopropylmethyl)amino]-2-pyridinyl}ethyl)-N-(2,6-dichlorbenzoyl)-L-tyrosin [German] [ACD/IUPAC Name]
O-(2-{6-[(Cyclopropylmethyl)amino]-2-pyridinyl}ethyl)-N-(2,6-dichlorobenzoyl)-L-tyrosine [ACD/IUPAC Name]
O-(2-{6-[(Cyclopropylméthyl)amino]-2-pyridinyl}éthyl)-N-(2,6-dichlorobenzoyl)-L-tyrosine [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 732.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.2±3.0 kJ/mol
Flash Point: 396.8±32.9 °C
Index of Refraction: 1.648
Molar Refractivity: 140.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 4.24
ACD/LogD (pH 5.5): 2.15
ACD/BCF (pH 5.5): 6.44
ACD/KOC (pH 5.5): 25.89
ACD/LogD (pH 7.4): 1.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.96
Polar Surface Area: 101 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 60.9±3.0 dyne/cm
Molar Volume: 385.6±3.0 cm3

Click to predict properties on the Chemicalize site


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