ChemSpider 2D Image | Ethyl (S)-[4-(2-ethoxyethoxy)phenyl][(3R)-3-(hydroxycarbamoyl)-3,4-dihydro-2(1H)-isoquinolinyl]phosphinate | C22H29N2O6P

Ethyl (S)-[4-(2-ethoxyethoxy)phenyl][(3R)-3-(hydroxycarbamoyl)-3,4-dihydro-2(1H)-isoquinolinyl]phosphinate

  • Molecular FormulaC22H29N2O6P
  • Average mass448.449 Da
  • Monoisotopic mass448.176331 Da
  • ChemSpider ID23225839

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(S)-[4-(2-Éthoxyéthoxy)phényl][(3R)-3-(hydroxycarbamoyl)-3,4-dihydro-2(1H)-isoquinoléinyl]phosphinate d'éthyle [French] [ACD/IUPAC Name]
Ethyl (S)-[4-(2-ethoxyethoxy)phenyl][(3R)-3-(hydroxycarbamoyl)-3,4-dihydro-2(1H)-isoquinolinyl]phosphinate [ACD/IUPAC Name]
ethyl (S)-[4-(2-ethoxyethoxy)phenyl][(3R)-3-(hydroxycarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl]phosphinate
Ethyl-(S)-[4-(2-ethoxyethoxy)phenyl][(3R)-3-(hydroxycarbamoyl)-3,4-dihydro-2(1H)-isochinolinyl]phosphinat [German] [ACD/IUPAC Name]
Phosphinic acid, P-[(3R)-3,4-dihydro-3-[(hydroxyamino)carbonyl]-2(1H)-isoquinolinyl]-P-[4-(2-ethoxyethoxy)phenyl]-, ethyl ester, (S)- [ACD/Index Name]
(R)-[4-(2-Ethoxy-ethoxy)-phenyl]-((R)-3-hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-yl)-phosphinic acid ethyl ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL347209/

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.590
Molar Refractivity: 116.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 0.53
ACD/LogD (pH 5.5): 1.64
ACD/BCF (pH 5.5): 10.44
ACD/KOC (pH 5.5): 186.57
ACD/LogD (pH 7.4): 1.63
ACD/BCF (pH 7.4): 10.19
ACD/KOC (pH 7.4): 181.98
Polar Surface Area: 107 Å2
Polarizability: 46.3±0.5 10-24cm3
Surface Tension: 57.2±5.0 dyne/cm
Molar Volume: 346.2±5.0 cm3

Click to predict properties on the Chemicalize site


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