ChemSpider 2D Image | (5-{[3-(4-Acetoxyphenyl)-1-{[2-(1,3-dioxan-2-yl)ethyl]amino}-1-oxo-2-propanyl]carbamoyl}-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetic acid | C28H29N3O10

(5-{[3-(4-Acetoxyphenyl)-1-{[2-(1,3-dioxan-2-yl)ethyl]amino}-1-oxo-2-propanyl]carbamoyl}-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetic acid

  • Molecular FormulaC28H29N3O10
  • Average mass567.544 Da
  • Monoisotopic mass567.185303 Da
  • ChemSpider ID121099947

More details:

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

(5-{[3-(4-Acetoxyphenyl)-1-{[2-(1,3-dioxan-2-yl)ethyl]amino}-1-oxo-2-propanyl]carbamoyl}-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetic acid [ACD/IUPAC Name]
(5-{[3-(4-Acetoxyphenyl)-1-{[2-(1,3-dioxan-2-yl)ethyl]amino}-1-oxo-2-propanyl]carbamoyl}-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)essigsäure [German] [ACD/IUPAC Name]
2H-Isoindole-2-acetic acid, 5-[[[1-[[4-(acetyloxy)phenyl]methyl]-2-[[2-(1,3-dioxan-2-yl)ethyl]amino]-2-oxoethyl]amino]carbonyl]-1,3-dihydro-1,3-dioxo- [ACD/Index Name]
Acide (5-{[3-(4-acétoxyphényl)-1-{[2-(1,3-dioxan-2-yl)éthyl]amino}-1-oxo-2-propanyl]carbamoyl}-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acétique [French] [ACD/IUPAC 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: 870.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.5±3.0 kJ/mol
Flash Point: 480.3±34.3 °C
Index of Refraction: 1.597
Molar Refractivity: 139.8±0.3 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 0.28
ACD/LogD (pH 5.5): -1.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 178 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 60.0±3.0 dyne/cm
Molar Volume: 410.4±3.0 cm3

Click to predict properties on the Chemicalize site


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