Found 51 results

Search term: MF = 'C_{27}H_{31}N_{3}O_{9}'
ChemSpider 2D Image | N-[(2E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoyl]glycyl-N-[2,5-bis(methoxycarbonyl)phenyl]-L-valinamide | C27H31N3O9

N-[(2E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoyl]glycyl-N-[2,5-bis(methoxycarbonyl)phenyl]-L-valinamide

  • Molecular FormulaC27H31N3O9
  • Average mass541.550 Da
  • Monoisotopic mass541.206055 Da
  • ChemSpider ID76795094

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

L-Valinamide, N-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]glycyl-N-[2,5-bis(methoxycarbonyl)phenyl]- [ACD/Index Name]
N-[(2E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoyl]glycyl-N-[2,5-bis(methoxycarbonyl)phenyl]-L-valinamid [German] [ACD/IUPAC Name]
N-[(2E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoyl]glycyl-N-[2,5-bis(methoxycarbonyl)phenyl]-L-valinamide [ACD/IUPAC Name]
N-[(2E)-3-(4-Hydroxy-3-méthoxyphényl)-2-propenoyl]glycyl-N-[2,5-bis(méthoxycarbonyl)phényl]-L-valinamide [French] [ACD/IUPAC 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: 852.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.1±3.0 kJ/mol
Flash Point: 469.4±34.3 °C
Index of Refraction: 1.601
Molar Refractivity: 143.1±0.3 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 3.33
ACD/LogD (pH 5.5): 2.68
ACD/BCF (pH 5.5): 63.64
ACD/KOC (pH 5.5): 680.33
ACD/LogD (pH 7.4): 2.67
ACD/BCF (pH 7.4): 63.35
ACD/KOC (pH 7.4): 677.21
Polar Surface Area: 169 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 53.6±3.0 dyne/cm
Molar Volume: 417.8±3.0 cm3

Click to predict properties on the Chemicalize site


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