ChemSpider 2D Image | (5S,6R,7R)-5-(1,3-Benzodioxol-5-yl)-2-butyl-7-{2-[(2S)-2-carboxypropyl]-4-methoxyphenyl}-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylate | C31H32NO7

(5S,6R,7R)-5-(1,3-Benzodioxol-5-yl)-2-butyl-7-{2-[(2S)-2-carboxypropyl]-4-methoxyphenyl}-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylate

  • Molecular FormulaC31H32NO7
  • Average mass530.589 Da
  • Monoisotopic mass530.218445 Da
  • ChemSpider ID9320963

  • Charge - Charge

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(5S,6R,7R)-5-(1,3-Benzodioxol-5-yl)-2-butyl-7-{2-[(2S)-2-carboxypropyl]-4-methoxyphenyl}-6,7-dihydro-5H-cyclopenta[b]pyridin-6-carboxylat [German] [ACD/IUPAC Name]
(5S,6R,7R)-5-(1,3-Benzodioxol-5-yl)-2-butyl-7-{2-[(2S)-2-carboxypropyl]-4-methoxyphenyl}-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylate [ACD/IUPAC Name]
(5S,6R,7R)-5-(1,3-Benzodioxol-5-yl)-2-butyl-7-{2-[(2S)-2-carboxypropyl]-4-méthoxyphényl}-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylate [French] [ACD/IUPAC Name]
5H-Cyclopenta[b]pyridine-6-carboxylic acid, 5-(1,3-benzodioxol-5-yl)-2-butyl-7-[2-[(2S)-2-carboxypropyl]-4-methoxyphenyl]-6,7-dihydro-, ion(1-), (5S,6R,7R)- [ACD/Index Name]

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

Density:
Boiling Point: 705.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.4±3.0 kJ/mol
Flash Point: 380.7±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.74
ACD/LogD (pH 5.5): 2.30
ACD/BCF (pH 5.5): 6.33
ACD/KOC (pH 5.5): 18.40
ACD/LogD (pH 7.4): 0.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 118 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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