ChemSpider 2D Image | N-[(3',6'-Dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-5-yl)carbamothioyl]-N~2~-(2,4-dinitrophenyl)-L-lysinamide | C33H28N6O10S

N-[(3',6'-Dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-5-yl)carbamothioyl]-N2-(2,4-dinitrophenyl)-L-lysinamide

  • Molecular FormulaC33H28N6O10S
  • Average mass700.675 Da
  • Monoisotopic mass700.158752 Da
  • ChemSpider ID2301514

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Hexanamide, 6-amino-N-[[(3',6'-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-5-yl)amino]thioxomethyl]-2-[(2,4-dinitrophenyl)amino]-, (2S)- [ACD/Index Name]
N-[(3',6'-Dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-5-yl)carbamothioyl]-N2-(2,4-dinitrophenyl)-L-lysinamid [German] [ACD/IUPAC Name]
N-[(3',6'-Dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-5-yl)carbamothioyl]-N2-(2,4-dinitrophenyl)-L-lysinamide [ACD/IUPAC Name]
N-[(3',6'-Dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-5-yl)carbamothioyl]-N2-(2,4-dinitrophényl)-L-lysinamide [French] [ACD/IUPAC Name]
134649-45-9 [RN]
2,4-Dinitrophenol-lysine-fluorescein conjugate
Dnp-lys-fluorescein

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.778
Molar Refractivity: 179.0±0.4 cm3
#H bond acceptors: 16
#H bond donors: 7
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 3.86
ACD/LogD (pH 5.5): 1.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.75
ACD/LogD (pH 7.4): 1.49
ACD/BCF (pH 7.4): 1.77
ACD/KOC (pH 7.4): 8.84
Polar Surface Area: 279 Å2
Polarizability: 70.9±0.5 10-24cm3
Surface Tension: 105.7±5.0 dyne/cm
Molar Volume: 427.5±5.0 cm3

Click to predict properties on the Chemicalize site


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