ChemSpider 2D Image | 4,5-Anhydro-1,2-dideoxy-4-methyl-2-({N-[(3-methyl-1H-inden-2-yl)carbonyl]-D-alanyl-O-methyl-L-tyrosyl}amino)-1-phenyl-D-erythro-pent-3-ulose | C36H39N3O6

4,5-Anhydro-1,2-dideoxy-4-methyl-2-({N-[(3-methyl-1H-inden-2-yl)carbonyl]-D-alanyl-O-methyl-L-tyrosyl}amino)-1-phenyl-D-erythro-pent-3-ulose

  • Molecular FormulaC36H39N3O6
  • Average mass609.711 Da
  • Monoisotopic mass609.283875 Da
  • ChemSpider ID58111246

  • defined stereocentres - 4 of 4 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-[(3-methyl-1H-inden-2-yl)carbonyl]-D-alanyl-O-methyl-L-tyrosyl}amino)-1-phenyl-D-erythro-pent-3-ulose [ACD/IUPAC Name]
4,5-Anhydro-1,2-didesoxy-4-methyl-2-({N-[(3-methyl-1H-inden-2-yl)carbonyl]-D-alanyl-O-methyl-L-tyrosyl}amino)-1-phenyl-D-erythro-pent-3-ulose [German] [ACD/IUPAC Name]
4,5-Anhydro-1,2-didésoxy-4-méthyl-2-({N-[(3-méthyl-1H-indén-2-yl)carbonyl]-D-alanyl-O-méthyl-L-tyrosyl}amino)-1-phényl-D-érythro-pent-3-ulose [French] [ACD/IUPAC Name]
D-erythro-3-Pentulose, 4,5-anhydro-1,2-dideoxy-4-C-methyl-2-[[N-[(3-methyl-1H-inden-2-yl)carbonyl]-D-alanyl-O-methyl-L-tyrosyl]amino]-1-phenyl- [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: 914.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.0±3.0 kJ/mol
Flash Point: 506.8±34.3 °C
Index of Refraction: 1.604
Molar Refractivity: 168.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 6.16
ACD/LogD (pH 5.5): 4.36
ACD/BCF (pH 5.5): 1213.14
ACD/KOC (pH 5.5): 5611.27
ACD/LogD (pH 7.4): 4.36
ACD/BCF (pH 7.4): 1213.13
ACD/KOC (pH 7.4): 5611.23
Polar Surface Area: 126 Å2
Polarizability: 66.9±0.5 10-24cm3
Surface Tension: 53.4±3.0 dyne/cm
Molar Volume: 490.7±3.0 cm3

Click to predict properties on the Chemicalize site


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