ChemSpider 2D Image | 4-(Diethoxyphosphoryl)-2-[(N-{[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethoxy]acetyl}-L-alanyl)amino]butanoic acid | C23H32N3O10P

4-(Diethoxyphosphoryl)-2-[(N-{[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethoxy]acetyl}-L-alanyl)amino]butanoic acid

  • Molecular FormulaC23H32N3O10P
  • Average mass541.488 Da
  • Monoisotopic mass541.182556 Da
  • ChemSpider ID8873079

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

4-(Diethoxyphosphoryl)-2-[(N-{[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethoxy]acetyl}-L-alanyl)amino]butanoic acid [ACD/IUPAC Name]
4-(Diethoxyphosphoryl)-2-[(N-{[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethoxy]acetyl}-L-alanyl)amino]butansäure [German] [ACD/IUPAC Name]
Acide 4-(diéthoxyphosphoryl)-2-[(N-{2-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)éthoxy]acétyl}-L-alanyl)amino]butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 4-(diethoxyphosphinyl)-2-[[(2S)-2-[[2-[2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)ethoxy]acetyl]amino]-1-oxopropyl]amino]- [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: 818.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.7±3.0 kJ/mol
Flash Point: 448.6±34.3 °C
Index of Refraction: 1.545
Molar Refractivity: 128.0±0.3 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 1.78
ACD/LogD (pH 5.5): -1.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 187 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 55.8±3.0 dyne/cm
Molar Volume: 405.2±3.0 cm3

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