Found 10 results

Search term: MF = 'C_{35}H_{44}N_{2}O_{12}'
ChemSpider 2D Image | Methyl N-{4-[(11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl)oxy]-4-oxobutanoyl}-3-nitrotyrosinate | C35H44N2O12

Methyl N-{4-[(11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl)oxy]-4-oxobutanoyl}-3-nitrotyrosinate

  • Molecular FormulaC35H44N2O12
  • Average mass684.730 Da
  • Monoisotopic mass684.289429 Da
  • ChemSpider ID3031351

More details:

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

Methyl N-{4-[(11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl)oxy]-4-oxobutanoyl}-3-nitrotyrosinate [ACD/IUPAC Name]
Methyl-N-{4-[(11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl)oxy]-4-oxobutanoyl}-3-nitrotyrosinat [German] [ACD/IUPAC Name]
N-{4-[(11,17-Dihydroxy-3,20-dioxoprégn-4-én-21-yl)oxy]-4-oxobutanoyl}-3-nitrotyrosinate de méthyle [French] [ACD/IUPAC Name]
Tyrosine, N-[4-[(11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl)oxy]-1,4-dioxobutyl]-3-nitro-, methyl ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 884.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.7±3.0 kJ/mol
Flash Point: 488.9±34.3 °C
Index of Refraction: 1.616
Molar Refractivity: 170.8±0.4 cm3
#H bond acceptors: 14
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 3.17
ACD/LogD (pH 5.5): 3.13
ACD/BCF (pH 5.5): 139.38
ACD/KOC (pH 5.5): 1179.69
ACD/LogD (pH 7.4): 2.54
ACD/BCF (pH 7.4): 35.73
ACD/KOC (pH 7.4): 302.44
Polar Surface Area: 222 Å2
Polarizability: 67.7±0.5 10-24cm3
Surface Tension: 69.5±5.0 dyne/cm
Molar Volume: 488.9±5.0 cm3

Click to predict properties on the Chemicalize site


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