ChemSpider 2D Image | N-{[6-(Pentyloxy)-2-naphthyl]sulfonyl}-D-glutamic acid | C20H25NO7S

N-{[6-(Pentyloxy)-2-naphthyl]sulfonyl}-D-glutamic acid

  • Molecular FormulaC20H25NO7S
  • Average mass423.480 Da
  • Monoisotopic mass423.135162 Da
  • ChemSpider ID24717166
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

Acide N-{[6-(pentyloxy)-2-naphtyl]sulfonyl}-D-glutamique [French] [ACD/IUPAC Name]
D-Glutamic acid, N-[[6-(pentyloxy)-2-naphthalenyl]sulfonyl]- [ACD/Index Name]
N-{[6-(Pentyloxy)-2-naphthyl]sulfonyl}-D-glutamic acid [ACD/IUPAC Name]
N-{[6-(Pentyloxy)-2-naphthyl]sulfonyl}-D-glutaminsäure [German] [ACD/IUPAC Name]
N-{[6-(PENTYLOXY)NAPHTHALEN-2-YL]SULFONYL}-D-GLUTAMIC ACID
(2R)-2-[6-(pentyloxy)naphthalene-2-sulfonamido]pentanedioic acid
E'CHEMBL517944'
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL517944/
LK3

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

Density: 1.3±0.1 g/cm3
Boiling Point: 654.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.3±3.0 kJ/mol
Flash Point: 349.9±34.3 °C
Index of Refraction: 1.591
Molar Refractivity: 108.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 3.47
ACD/LogD (pH 5.5): -0.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 138 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 56.8±3.0 dyne/cm
Molar Volume: 319.8±3.0 cm3

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