Found 51 results

Search term: MF = 'C_{27}H_{31}N_{3}O_{9}'
ChemSpider 2D Image | Methyl N-({(3S)-2,6-dioxo-3-[(3,4,5-trimethoxybenzoyl)amino]-1-piperidinyl}acetyl)-L-phenylalaninate | C27H31N3O9

Methyl N-({(3S)-2,6-dioxo-3-[(3,4,5-trimethoxybenzoyl)amino]-1-piperidinyl}acetyl)-L-phenylalaninate

  • Molecular FormulaC27H31N3O9
  • Average mass541.550 Da
  • Monoisotopic mass541.206055 Da
  • ChemSpider ID23304239

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

L-Phenylalanine, N-[2-[(3S)-2,6-dioxo-3-[(3,4,5-trimethoxybenzoyl)amino]-1-piperidinyl]acetyl]-, methyl ester [ACD/Index Name]
Methyl N-({(3S)-2,6-dioxo-3-[(3,4,5-trimethoxybenzoyl)amino]-1-piperidinyl}acetyl)-L-phenylalaninate [ACD/IUPAC Name]
methyl N-({(3S)-2,6-dioxo-3-[(3,4,5-trimethoxybenzoyl)amino]piperidin-1-yl}acetyl)-L-phenylalaninate
Methyl-N-({(3S)-2,6-dioxo-3-[(3,4,5-trimethoxybenzoyl)amino]-1-piperidinyl}acetyl)-L-phenylalaninat [German] [ACD/IUPAC Name]
N-(2-{(3S)-2,6-Dioxo-3-[(3,4,5-triméthoxybenzoyl)amino]-1-pipéridinyl}acétyl)-L-phénylalaninate de méthyle [French] [ACD/IUPAC Name]
(S)-methyl 2-(2-((S)-2,6-dioxo-3-(3,4,5-trimethoxybenzamido)piperidin-1-yl)acetamido)-3-phenylpropanoate
CHEMBL245713

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

Density: 1.3±0.1 g/cm3
Boiling Point: 751.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.5±3.0 kJ/mol
Flash Point: 408.3±32.9 °C
Index of Refraction: 1.595
Molar Refractivity: 137.5±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 1.46
ACD/LogD (pH 5.5): 1.35
ACD/BCF (pH 5.5): 6.23
ACD/KOC (pH 5.5): 128.88
ACD/LogD (pH 7.4): 1.35
ACD/BCF (pH 7.4): 6.23
ACD/KOC (pH 7.4): 128.88
Polar Surface Area: 150 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 60.6±5.0 dyne/cm
Molar Volume: 404.8±5.0 cm3

Click to predict properties on the Chemicalize site


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