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Search term: ICSYECGTOPPYSA-QHCPKHFHSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-[(2S)-6-Amino-2-{[hydroxy(4-phenylbutyl)phosphoryl]oxy}hexanoyl]-N-(3,4-dimethoxyphenyl)glycine | C26H37N2O8P

N-[(2S)-6-Amino-2-{[hydroxy(4-phenylbutyl)phosphoryl]oxy}hexanoyl]-N-(3,4-dimethoxyphenyl)glycine

  • Molecular FormulaC26H37N2O8P
  • Average mass536.554 Da
  • Monoisotopic mass536.228760 Da
  • ChemSpider ID23131253

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Glycine, N-[(2S)-6-amino-2-[[hydroxy(4-phenylbutyl)phosphinyl]oxy]-1-oxohexyl]-N-(3,4-dimethoxyphenyl)- [ACD/Index Name]
N-[(2S)-6-Amino-2-{[hydroxy(4-phenylbutyl)phosphoryl]oxy}hexanoyl]-N-(3,4-dimethoxyphenyl)glycin [German] [ACD/IUPAC Name]
N-[(2S)-6-Amino-2-{[hydroxy(4-phenylbutyl)phosphoryl]oxy}hexanoyl]-N-(3,4-dimethoxyphenyl)glycine [ACD/IUPAC Name]
N-[(2S)-6-Amino-2-{[hydroxy(4-phénylbutyl)phosphoryl]oxy}hexanoyl]-N-(3,4-diméthoxyphényl)glycine [French] [ACD/IUPAC Name]
[{6-Amino-2-[hydroxy-(4-phenyl-butyl)-phosphinoyloxy]-hexanoyl}-(3,4-dimethoxy-phenyl)-amino]-acetic acid
[{6-Amino-2-[hydroxy-(4-phenyl-butyl)-phosphinoyloxy]-hexanoyl}-(3,4-dimethoxy-phenyl)-amino]-acetic acid.1.3H2O

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

Density: 1.3±0.1 g/cm3
Boiling Point: 742.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.6±3.0 kJ/mol
Flash Point: 402.8±35.7 °C
Index of Refraction: 1.573
Molar Refractivity: 140.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 1.92
ACD/LogD (pH 5.5): -2.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 158 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 54.4±3.0 dyne/cm
Molar Volume: 425.0±3.0 cm3

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