ChemSpider 2D Image | (E)-N~5~-(Amino{[(2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]amino}methylene)-N~2~-[(benzyloxy)carbonyl]-N~2~-methylornithine | C28H38N4O7S

(E)-N5-(Amino{[(2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]amino}methylene)-N2-[(benzyloxy)carbonyl]-N2-methylornithine

  • Molecular FormulaC28H38N4O7S
  • Average mass574.689 Da
  • Monoisotopic mass574.246094 Da
  • ChemSpider ID110416738

More details:

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

(E)-N5-(Amino{[(2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]amino}methylen)-N2-[(benzyloxy)carbonyl]-N2-methylornithin [German] [ACD/IUPAC Name]
(E)-N5-(Amino{[(2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]amino}methylene)-N2-[(benzyloxy)carbonyl]-N2-methylornithine [ACD/IUPAC Name]
(E)-N5-(Amino{[(2,2,4,6,7-pentaméthyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]amino}méthylène)-N2-[(benzyloxy)carbonyl]-N2-méthylornithine [French] [ACD/IUPAC Name]
Ornithine, N5-[amino[[(2,3-dihydro-2,2,4,6,7-pentamethyl-5-benzofuranyl)sulfonyl]amino]methylene]-N2-methyl-N2-[(phenylmethoxy)carbonyl]-, (E)- [ACD/Index Name]
2-{[(benzyloxy)carbonyl](methyl)amino}-5-[N'-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-ylsulfonyl)carbamimidamido]pentanoic acid
2-{[(benzyloxy)carbonyl](methyl)amino}-5-{N'-[(2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]carbamimidamido}pentanoic acid

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

Density: 1.3±0.1 g/cm3
Boiling Point: 753.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.2±3.0 kJ/mol
Flash Point: 409.5±35.7 °C
Index of Refraction: 1.601
Molar Refractivity: 150.4±0.5 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 6.01
ACD/LogD (pH 5.5): 2.90
ACD/BCF (pH 5.5): 30.59
ACD/KOC (pH 5.5): 106.69
ACD/LogD (pH 7.4): 1.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.36
Polar Surface Area: 169 Å2
Polarizability: 59.6±0.5 10-24cm3
Surface Tension: 48.3±7.0 dyne/cm
Molar Volume: 439.3±7.0 cm3

Click to predict properties on the Chemicalize site


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