Found 261 results

Search term: MF = 'C_{28}H_{39}N_{3}O_{7}'
ChemSpider 2D Image | (2S,3R,4S)-4-(1,3-Benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-[2-(2,5-dioxo-1-pyrrolidinyl)ethyl]-3-pyrrolidinecarboxylic acid | C28H39N3O7

(2S,3R,4S)-4-(1,3-Benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-[2-(2,5-dioxo-1-pyrrolidinyl)ethyl]-3-pyrrolidinecarboxylic acid

  • Molecular FormulaC28H39N3O7
  • Average mass529.625 Da
  • Monoisotopic mass529.278809 Da
  • ChemSpider ID8801394

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S,3R,4S)-4-(1,3-Benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-[2-(2,5-dioxo-1-pyrrolidinyl)ethyl]-3-pyrrolidincarbonsäure [German] [ACD/IUPAC Name]
(2S,3R,4S)-4-(1,3-Benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-[2-(2,5-dioxo-1-pyrrolidinyl)ethyl]-3-pyrrolidinecarboxylic acid [ACD/IUPAC Name]
(2S,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]pyrrolidine-3-carboxylic acid
3-Pyrrolidinecarboxylic acid, 4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-[2-(2,5-dioxo-1-pyrrolidinyl)ethyl]-, (2S,3R,4S)- [ACD/Index Name]
Acide (2S,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoéthyl]-2-[2-(2,5-dioxo-1-pyrrolidinyl)éthyl]-3-pyrrolidinecarboxylique [French] [ACD/IUPAC Name]
(2S,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbamoylmethyl-2-[2-(2,5-dioxo-pyrrolidin-1-yl)-ethyl]-pyrrolidine-3-carboxylic acid
CHEMBL322799
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL322799/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 706.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.5±3.0 kJ/mol
Flash Point: 380.9±32.9 °C
Index of Refraction: 1.561
Molar Refractivity: 138.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 3.26
ACD/LogD (pH 5.5): 0.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.01
ACD/LogD (pH 7.4): -0.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 117 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 51.2±3.0 dyne/cm
Molar Volume: 427.8±3.0 cm3

Click to predict properties on the Chemicalize site


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