ChemSpider 2D Image | Dansyl-L-valine | C17H22N2O4S

Dansyl-L-valine

  • Molecular FormulaC17H22N2O4S
  • Average mass350.433 Da
  • Monoisotopic mass350.130035 Da
  • ChemSpider ID20049141

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1098-50-6 [RN]
Dansyl-dl-valine
Dansyl-L-valine
L-Valine, N-[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]- [ACD/Index Name]
N-{[5-(Dimethylamino)-1-naphthyl]sulfonyl}-L-valin [German] [ACD/IUPAC Name]
N-{[5-(Dimethylamino)-1-naphthyl]sulfonyl}-L-valine [ACD/IUPAC Name]
N-{[5-(Diméthylamino)-1-naphtyl]sulfonyl}-L-valine [French] [ACD/IUPAC Name]
N-{[5-(dimethylamino)naphthalen-1-yl]sulfonyl}-L-valine
(2S)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-methylbutanoic acid
(2S)-2-[5-(DIMETHYLAMINO)NAPHTHALENE-1-SULFONAMIDO]-3-METHYLBUTANOIC ACID
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 536.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.5±3.0 kJ/mol
Flash Point: 278.1±32.9 °C
Index of Refraction: 1.609
Molar Refractivity: 94.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.52
ACD/LogD (pH 5.5): 0.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.24
ACD/LogD (pH 7.4): -0.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 95 Å2
Polarizability: 37.5±0.5 10-24cm3
Surface Tension: 53.4±3.0 dyne/cm
Molar Volume: 273.5±3.0 cm3

Click to predict properties on the Chemicalize site


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