ChemSpider 2D Image | (2S)-2-([4-(2-Hydroxyethoxy)benzyl]{(2R)-2-[2-oxo-2-(1-pyrrolidinyl)ethyl]-4-pentenoyl}amino)propyl (2R)-2-[2-oxo-2-(1-pyrrolidinyl)ethyl]-4-pentenoate | C34H49N3O7

(2S)-2-([4-(2-Hydroxyethoxy)benzyl]{(2R)-2-[2-oxo-2-(1-pyrrolidinyl)ethyl]-4-pentenoyl}amino)propyl (2R)-2-[2-oxo-2-(1-pyrrolidinyl)ethyl]-4-pentenoate

  • Molecular FormulaC34H49N3O7
  • Average mass611.769 Da
  • Monoisotopic mass611.357056 Da
  • ChemSpider ID5046258

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R)-2-[2-Oxo-2-(1-pyrrolidinyl)éthyl]-4-penténoate de (2S)-2-([4-(2-hydroxyéthoxy)benzyl]{(2R)-2-[2-oxo-2-(1-pyrrolidinyl)éthyl]-4-pentenoyl}amino)propyle [French] [ACD/IUPAC Name]
(2S)-2-([4-(2-Hydroxyethoxy)benzyl]{(2R)-2-[2-oxo-2-(1-pyrrolidinyl)ethyl]-4-pentenoyl}amino)propyl (2R)-2-[2-oxo-2-(1-pyrrolidinyl)ethyl]-4-pentenoate [ACD/IUPAC Name]
(2S)-2-([4-(2-Hydroxyethoxy)benzyl]{(2R)-2-[2-oxo-2-(1-pyrrolidinyl)ethyl]-4-pentenoyl}amino)propyl-(2R)-2-[2-oxo-2-(1-pyrrolidinyl)ethyl]-4-pentenoat [German] [ACD/IUPAC Name]
1-Pyrrolidinebutanoic acid, γ-oxo-α-2-propen-1-yl-, (2S)-2-[[[4-(2-hydroxyethoxy)phenyl]methyl][(2R)-1-oxo-2-[2-oxo-2-(1-pyrrolidinyl)ethyl]-4-penten-1-yl]amino]propyl ester, (αR)- [ACD/Index Name]
CDH2_000269

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

CBiol_001677 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 794.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.1±3.0 kJ/mol
Flash Point: 434.2±32.9 °C
Index of Refraction: 1.554
Molar Refractivity: 167.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 3.81
ACD/LogD (pH 5.5): 3.55
ACD/BCF (pH 5.5): 295.01
ACD/KOC (pH 5.5): 2039.43
ACD/LogD (pH 7.4): 3.55
ACD/BCF (pH 7.4): 295.01
ACD/KOC (pH 7.4): 2039.43
Polar Surface Area: 117 Å2
Polarizability: 66.4±0.5 10-24cm3
Surface Tension: 50.7±3.0 dyne/cm
Molar Volume: 522.5±3.0 cm3

Click to predict properties on the Chemicalize site


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