ChemSpider 2D Image | 4,5-Anhydro-1-(4-biphenylyl)-1,2-dideoxy-4-methyl-2-{[N-(4-morpholinylacetyl)-L-alanyl-O-methyl-L-tyrosyl]amino}-D-erythro-pent-3-ulose | C37H44N4O7

4,5-Anhydro-1-(4-biphenylyl)-1,2-dideoxy-4-methyl-2-{[N-(4-morpholinylacetyl)-L-alanyl-O-methyl-L-tyrosyl]amino}-D-erythro-pent-3-ulose

  • Molecular FormulaC37H44N4O7
  • Average mass656.768 Da
  • Monoisotopic mass656.320984 Da
  • ChemSpider ID58111239

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

4,5-Anhydro-1-(4-biphenylyl)-1,2-dideoxy-4-methyl-2-{[N-(4-morpholinylacetyl)-L-alanyl-O-methyl-L-tyrosyl]amino}-D-erythro-pent-3-ulose [ACD/IUPAC Name]
4,5-Anhydro-1-(4-biphénylyl)-1,2-didésoxy-4-méthyl-2-({N-[2-(4-morpholinyl)acétyl]-L-alanyl-O-méthyl-L-tyrosyl}amino)-D-érythro-pent-3-ulose [French] [ACD/IUPAC Name]
4,5-Anhydro-1-(4-biphenylyl)-1,2-didesoxy-4-methyl-2-{[N-(4-morpholinylacetyl)-L-alanyl-O-methyl-L-tyrosyl]amino}-D-erythro-pent-3-ulose [German] [ACD/IUPAC Name]
D-erythro-3-Pentulose, 4,5-anhydro-1-[1,1'-biphenyl]-4-yl-1,2-dideoxy-4-C-methyl-2-[[N-[2-(4-morpholinyl)acetyl]-L-alanyl-O-methyl-L-tyrosyl]amino]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 939.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.8±3.0 kJ/mol
Flash Point: 521.7±34.3 °C
Index of Refraction: 1.581
Molar Refractivity: 179.0±0.3 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 5.17
ACD/LogD (pH 5.5): 3.90
ACD/BCF (pH 5.5): 520.57
ACD/KOC (pH 5.5): 2933.75
ACD/LogD (pH 7.4): 3.96
ACD/BCF (pH 7.4): 604.18
ACD/KOC (pH 7.4): 3404.91
Polar Surface Area: 139 Å2
Polarizability: 70.9±0.5 10-24cm3
Surface Tension: 50.8±3.0 dyne/cm
Molar Volume: 536.7±3.0 cm3

Click to predict properties on the Chemicalize site


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