ChemSpider 2D Image | N~2~-[(5-{Bis[(~2~H_3_)methyl]amino}-1-naphthyl)sulfonyl]-L-asparagine | C16H13D6N3O5S

N2-[(5-{Bis[(2H3)methyl]amino}-1-naphthyl)sulfonyl]-L-asparagine

  • Molecular FormulaC16H13D6N3O5S
  • Average mass371.441 Da
  • Monoisotopic mass371.142212 Da
  • ChemSpider ID107447772

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

L-Asparagine, N2-[[5-(dimethyl-d3-amino)-1-naphthalenyl]sulfonyl]- [ACD/Index Name]
N2-[(5-{Bis[(2H3)methyl]amino}-1-naphthyl)sulfonyl]-L-asparagin [German] [ACD/IUPAC Name]
N2-[(5-{Bis[(2H3)methyl]amino}-1-naphthyl)sulfonyl]-L-asparagine [ACD/IUPAC Name]
N2-[(5-{Bis[(2H3)méthyl]amino}-1-naphtyl)sulfonyl]-L-asparagine [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 657.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.7±3.0 kJ/mol
Flash Point: 351.5±34.3 °C
Index of Refraction: 1.649
Molar Refractivity: 93.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.82
ACD/LogD (pH 5.5): -1.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 138 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 67.0±3.0 dyne/cm
Molar Volume: 257.5±3.0 cm3

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