ChemSpider 2D Image | (2S)-2-[5-Cyclopropyl-6-(hydroxysulfanyl)-4-(1-naphthylmethyl)-2-oxo-1(2H)-pyridinyl]-3-phenylpropanoic acid | C28H25NO4S

(2S)-2-[5-Cyclopropyl-6-(hydroxysulfanyl)-4-(1-naphthylmethyl)-2-oxo-1(2H)-pyridinyl]-3-phenylpropanoic acid

  • Molecular FormulaC28H25NO4S
  • Average mass471.567 Da
  • Monoisotopic mass471.150421 Da
  • ChemSpider ID25060888

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-[5-cyclopropyl-6-(hydroxysulfanyl)-4-(naphthalen-1-ylmethyl)-2-oxopyridin-1(2H)-yl]-3-phenylpropanoic acid
(2S)-2-[5-Cyclopropyl-6-(hydroxysulfanyl)-4-(1-naphthylmethyl)-2-oxo-1(2H)-pyridinyl]-3-phenylpropanoic acid [ACD/IUPAC Name]
(2S)-2-[5-Cyclopropyl-6-(hydroxysulfanyl)-4-(1-naphthylmethyl)-2-oxo-1(2H)-pyridinyl]-3-phenylpropansäure [German] [ACD/IUPAC Name]
1(2H)-Pyridineacetic acid, 5-cyclopropyl-6-(hydroxythio)-4-(1-naphthalenylmethyl)-2-oxo-α-(phenylmethyl)-, (αS)- [ACD/Index Name]
Acide (2S)-2-[5-cyclopropyl-6-(hydroxysulfanyl)-4-(1-naphtylméthyl)-2-oxo-1(2H)-pyridinyl]-3-phénylpropanoïque [French] [ACD/IUPAC Name]
EC5

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

Density: 1.4±0.1 g/cm3
Boiling Point: 755.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.4±3.0 kJ/mol
Flash Point: 410.5±35.7 °C
Index of Refraction: 1.732
Molar Refractivity: 134.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 7.34
ACD/LogD (pH 5.5): 2.51
ACD/BCF (pH 5.5): 13.25
ACD/KOC (pH 5.5): 48.71
ACD/LogD (pH 7.4): 1.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.37
Polar Surface Area: 103 Å2
Polarizability: 53.4±0.5 10-24cm3
Surface Tension: 73.5±5.0 dyne/cm
Molar Volume: 337.2±5.0 cm3

Click to predict properties on the Chemicalize site


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