ChemSpider 2D Image | (3R,4R)-4-[(4-Hydroxybenzoyl)amino]-3-pyrrolidinyl 4-[2-(ethoxycarbonyl)-6-hydroxybenzoyl]-3,5-dihydroxybenzoate | C28H26N2O10

(3R,4R)-4-[(4-Hydroxybenzoyl)amino]-3-pyrrolidinyl 4-[2-(ethoxycarbonyl)-6-hydroxybenzoyl]-3,5-dihydroxybenzoate

  • Molecular FormulaC28H26N2O10
  • Average mass550.513 Da
  • Monoisotopic mass550.158752 Da
  • ChemSpider ID4485170

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4R)-4-[(4-Hydroxybenzoyl)amino]-3-pyrrolidinyl 4-[2-(ethoxycarbonyl)-6-hydroxybenzoyl]-3,5-dihydroxybenzoate [ACD/IUPAC Name]
(3R,4R)-4-[(4-Hydroxybenzoyl)amino]-3-pyrrolidinyl-4-[2-(ethoxycarbonyl)-6-hydroxybenzoyl]-3,5-dihydroxybenzoat [German] [ACD/IUPAC Name]
(3R,4R)-4-[(4-hydroxybenzoyl)amino]pyrrolidin-3-yl 4-[2-(ethoxycarbonyl)-6-hydroxybenzoyl]-3,5-dihydroxybenzoate
4-[2-(Éthoxycarbonyl)-6-hydroxybenzoyl]-3,5-dihydroxybenzoate de (3R,4R)-4-[(4-hydroxybenzoyl)amino]-3-pyrrolidinyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[2-(ethoxycarbonyl)-6-hydroxybenzoyl]-3,5-dihydroxy-, (3R,4R)-4-[(4-hydroxybenzoyl)amino]-3-pyrrolidinyl ester [ACD/Index Name]
4-(2-Ethoxycarbonyl-6-hydroxy-benzoyl)-3,5-dihydroxy-benzoic acid (3R,4R)-4-(4-hydroxy-benzoylamino)-pyrrolidin-3-yl ester
Balanol Benzophenone Ester Analog 25
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL307543/

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

Density: 1.5±0.1 g/cm3
Boiling Point: 808.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 121.6±3.0 kJ/mol
Flash Point: 442.6±34.3 °C
Index of Refraction: 1.703
Molar Refractivity: 137.7±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 4
ACD/LogP: 5.66
ACD/LogD (pH 5.5): 1.90
ACD/BCF (pH 5.5): 4.26
ACD/KOC (pH 5.5): 19.94
ACD/LogD (pH 7.4): 1.34
ACD/BCF (pH 7.4): 1.18
ACD/KOC (pH 7.4): 5.54
Polar Surface Area: 192 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 89.7±5.0 dyne/cm
Molar Volume: 355.3±5.0 cm3

Click to predict properties on the Chemicalize site


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