ChemSpider 2D Image | N-{(2S)-1-[(2,2-Dimethyl-1,3-dioxolan-4-yl)methoxy]-1-oxo-3-phenyl-2-propanyl}-L-phenylalanyl-beta-alanine | C27H34N2O7

N-{(2S)-1-[(2,2-Dimethyl-1,3-dioxolan-4-yl)methoxy]-1-oxo-3-phenyl-2-propanyl}-L-phenylalanyl-β-alanine

  • Molecular FormulaC27H34N2O7
  • Average mass498.568 Da
  • Monoisotopic mass498.236603 Da
  • ChemSpider ID64854256

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

934969-67-2 [RN]
N-{(2S)-1-[(2,2-Dimethyl-1,3-dioxolan-4-yl)methoxy]-1-oxo-3-phenyl-2-propanyl}-L-phenylalanyl-β-alanin [German] [ACD/IUPAC Name]
N-{(2S)-1-[(2,2-Dimethyl-1,3-dioxolan-4-yl)methoxy]-1-oxo-3-phenyl-2-propanyl}-L-phenylalanyl-β-alanine [ACD/IUPAC Name]
N-{(2S)-1-[(2,2-Diméthyl-1,3-dioxolan-4-yl)méthoxy]-1-oxo-3-phényl-2-propanyl}-L-phénylalanyl-β-alanine [French] [ACD/IUPAC Name]
β-Alanine, N-[(1S)-2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-oxo-1-(phenylmethyl)ethyl]-L-phenylalanyl- [ACD/Index Name]

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

943A78D2DX [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 723.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.9±3.0 kJ/mol
Flash Point: 391.3±32.9 °C
Index of Refraction: 1.552
Molar Refractivity: 132.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 0
ACD/LogP: 3.55
ACD/LogD (pH 5.5): 1.51
ACD/BCF (pH 5.5): 3.90
ACD/KOC (pH 5.5): 37.96
ACD/LogD (pH 7.4): -0.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 123 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 50.2±3.0 dyne/cm
Molar Volume: 413.9±3.0 cm3

Click to predict properties on the Chemicalize site


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