ChemSpider 2D Image | 4,5-Anhydro-1,2-dideoxy-4-methyl-2-[(N-{(2S)-2-[(4-morpholinylacetyl)amino]-4-phenylbutanoyl}-L-leucyl-L-phenylalanyl)amino]-1-phenyl-D-erythro-pent-3-ulose | C43H55N5O7

4,5-Anhydro-1,2-dideoxy-4-methyl-2-[(N-{(2S)-2-[(4-morpholinylacetyl)amino]-4-phenylbutanoyl}-L-leucyl-L-phenylalanyl)amino]-1-phenyl-D-erythro-pent-3-ulose

  • Molecular FormulaC43H55N5O7
  • Average mass753.926 Da
  • Monoisotopic mass753.410156 Da
  • ChemSpider ID129190158

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

4,5-Anhydro-1,2-dideoxy-4-methyl-2-[(N-{(2S)-2-[(4-morpholinylacetyl)amino]-4-phenylbutanoyl}-L-leucyl-L-phenylalanyl)amino]-1-phenyl-D-erythro-pent-3-ulose [ACD/IUPAC Name]
4,5-Anhydro-1,2-didésoxy-4-méthyl-2-({N-[(2S)-2-{[2-(4-morpholinyl)acétyl]amino}-4-phénylbutanoyl]-L-leucyl-L-phénylalanyl}amino)-1-phényl-D-érythro-pent-3-ulose [French] [ACD/IUPAC Name]
4,5-Anhydro-1,2-didesoxy-4-methyl-2-[(N-{(2S)-2-[(4-morpholinylacetyl)amino]-4-phenylbutanoyl}-L-leucyl-L-phenylalanyl)amino]-1-phenyl-D-erythro-pent-3-ulose [German] [ACD/IUPAC Name]
D-erythro-3-Pentulose, 4,5-anhydro-1,2-dideoxy-4-C-methyl-2-[[N-[(2S)-2-[[2-(4-morpholinyl)acetyl]amino]-1-oxo-4-phenylbutyl]-L-leucyl-L-phenylalanyl]amino]-1-phenyl- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4517879/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 1023.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 149.8±3.0 kJ/mol
Flash Point: 572.8±34.3 °C
Index of Refraction: 1.574
Molar Refractivity: 208.2±0.3 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: 6.90
ACD/LogD (pH 5.5): 4.49
ACD/BCF (pH 5.5): 1390.24
ACD/KOC (pH 5.5): 5577.61
ACD/LogD (pH 7.4): 4.64
ACD/BCF (pH 7.4): 1985.97
ACD/KOC (pH 7.4): 7967.66
Polar Surface Area: 158 Å2
Polarizability: 82.5±0.5 10-24cm3
Surface Tension: 51.2±3.0 dyne/cm
Molar Volume: 630.4±3.0 cm3

Click to predict properties on the Chemicalize site


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