ChemSpider 2D Image | (8R)-7-[(2S)-2-{[(2S)-1-Ethoxy-1-oxo-4-phenyl-2-butanyl]amino}propanoyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxylic acid (non-preferred name) | C22H30N2O5S2

(8R)-7-[(2S)-2-{[(2S)-1-Ethoxy-1-oxo-4-phenyl-2-butanyl]amino}propanoyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxylic acid (non-preferred name)

  • Molecular FormulaC22H30N2O5S2
  • Average mass466.614 Da
  • Monoisotopic mass466.159607 Da
  • ChemSpider ID60958765

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(8R)-7-[(2S)-2-{[(2S)-1-Ethoxy-1-oxo-4-phenyl-2-butanyl]amino}propanoyl]-1,4-dithia-7-azaspiro[4.4]nonan-8-carbonsäure (non-preferred name) [German] [ACD/IUPAC Name]
(8R)-7-[(2S)-2-{[(2S)-1-Ethoxy-1-oxo-4-phenyl-2-butanyl]amino}propanoyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxylic acid (non-preferred name) [ACD/IUPAC Name]
Acide (8R)-7-[(2S)-2-{[(2S)-1-éthoxy-1-oxo-4-phényl-2-butanyl]amino}propanoyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxylique (non-preferred name) [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 697.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.3±3.0 kJ/mol
Flash Point: 375.8±31.5 °C
Index of Refraction: 1.622
Molar Refractivity: 123.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.16
ACD/LogD (pH 5.5): 0.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.29
ACD/LogD (pH 7.4): -0.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 147 Å2
Polarizability: 49.1±0.5 10-24cm3
Surface Tension: 62.2±5.0 dyne/cm
Molar Volume: 352.0±5.0 cm3

Click to predict properties on the Chemicalize site


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