ChemSpider 2D Image | N-{4-[(17-Hydroxy-3,20-dioxopregn-4-en-21-yl)oxy]-4-oxobutanoyl}-O-methyltyrosine | C35H45NO9

N-{4-[(17-Hydroxy-3,20-dioxopregn-4-en-21-yl)oxy]-4-oxobutanoyl}-O-methyltyrosine

  • Molecular FormulaC35H45NO9
  • Average mass623.733 Da
  • Monoisotopic mass623.309448 Da
  • ChemSpider ID4159537

More details:

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

N-{4-[(17-Hydroxy-3,20-dioxopregn-4-en-21-yl)oxy]-4-oxobutanoyl}-O-methyltyrosin [German] [ACD/IUPAC Name]
N-{4-[(17-Hydroxy-3,20-dioxopregn-4-en-21-yl)oxy]-4-oxobutanoyl}-O-methyltyrosine [ACD/IUPAC Name]
N-{4-[(17-Hydroxy-3,20-dioxoprégn-4-én-21-yl)oxy]-4-oxobutanoyl}-O-méthyltyrosine [French] [ACD/IUPAC Name]
Tyrosine, N-[4-[(17-hydroxy-3,20-dioxopregn-4-en-21-yl)oxy]-1,4-dioxobutyl]-O-methyl- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 843.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.4±3.0 kJ/mol
Flash Point: 463.8±34.3 °C
Index of Refraction: 1.595
Molar Refractivity: 163.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 4.61
ACD/LogD (pH 5.5): 1.28
ACD/BCF (pH 5.5): 1.40
ACD/KOC (pH 5.5): 8.60
ACD/LogD (pH 7.4): 0.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 156 Å2
Polarizability: 64.7±0.5 10-24cm3
Surface Tension: 60.4±5.0 dyne/cm
Molar Volume: 480.4±5.0 cm3

Click to predict properties on the Chemicalize site


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