ChemSpider 2D Image | N-({6-[(4-Cyano-2-fluorobenzyl)oxy]-2-naphthyl}sulfonyl)-D-glutamic acid | C23H19FN2O7S

N-({6-[(4-Cyano-2-fluorobenzyl)oxy]-2-naphthyl}sulfonyl)-D-glutamic acid

  • Molecular FormulaC23H19FN2O7S
  • Average mass486.470 Da
  • Monoisotopic mass486.089691 Da
  • ChemSpider ID24689802

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Acide N-({6-[(4-cyano-2-fluorobenzyl)oxy]-2-naphtyl}sulfonyl)-D-glutamique [French] [ACD/IUPAC Name]
D-Glutamic acid, N-[[6-[(4-cyano-2-fluorophenyl)methoxy]-2-naphthalenyl]sulfonyl]- [ACD/Index Name]
N-({6-[(4-Cyan-2-fluorbenzyl)oxy]-2-naphthyl}sulfonyl)-D-glutaminsäure [German] [ACD/IUPAC Name]
N-({6-[(4-Cyano-2-fluorobenzyl)oxy]-2-naphthyl}sulfonyl)-D-glutamic acid [ACD/IUPAC Name]
N-({6-[(4-CYANO-2-FLUOROBENZYL)OXY]NAPHTHALEN-2-YL}SULFONYL)-D-GLUTAMIC ACID
(2R)-2-{6-[(4-cyano-2-fluorophenyl)methoxy]naphthalene-2-sulfonamido}pentanedioic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL457526/
LKM

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

Density: 1.5±0.1 g/cm3
Boiling Point: 758.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.9±3.0 kJ/mol
Flash Point: 412.2±35.7 °C
Index of Refraction: 1.675
Molar Refractivity: 119.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 2.25
ACD/LogD (pH 5.5): -1.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 162 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 79.7±5.0 dyne/cm
Molar Volume: 316.8±5.0 cm3

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