ChemSpider 2D Image | 5-[(3-{4-({[2-Hydroxy-2-(3-hydroxyphenyl)ethyl](methyl)amino}methyl)-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl}phenyl)amino]-5-oxopentanoic acid | C32H38N2O8

5-[(3-{4-({[2-Hydroxy-2-(3-hydroxyphenyl)ethyl](methyl)amino}methyl)-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl}phenyl)amino]-5-oxopentanoic acid

  • Molecular FormulaC32H38N2O8
  • Average mass578.653 Da
  • Monoisotopic mass578.262817 Da
  • ChemSpider ID3651110

More details:






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

5-[(3-{4-({[2-Hydroxy-2-(3-hydroxyphenyl)ethyl](methyl)amino}methyl)-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl}phenyl)amino]-5-oxopentanoic acid [ACD/IUPAC Name]
5-[(3-{4-({[2-Hydroxy-2-(3-hydroxyphenyl)ethyl](methyl)amino}methyl)-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl}phenyl)amino]-5-oxopentansäure [German] [ACD/IUPAC Name]
Acide 5-[(3-{4-({[2-hydroxy-2-(3-hydroxyphényl)éthyl](méthyl)amino}méthyl)-6-[4-(hydroxyméthyl)phényl]-1,3-dioxan-2-yl}phényl)amino]-5-oxopentanoïque [French] [ACD/IUPAC Name]
Pentanoic acid, 5-[[3-[4-[[[2-hydroxy-2-(3-hydroxyphenyl)ethyl]methylamino]methyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]amino]-5-oxo- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 884.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.6±3.0 kJ/mol
Flash Point: 488.4±34.3 °C
Index of Refraction: 1.626
Molar Refractivity: 157.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 2.47
ACD/LogD (pH 5.5): -0.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.83
ACD/LogD (pH 7.4): -0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.24
Polar Surface Area: 149 Å2
Polarizability: 62.2±0.5 10-24cm3
Surface Tension: 62.6±3.0 dyne/cm
Molar Volume: 443.2±3.0 cm3

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