ChemSpider 2D Image | Dibenzyl N-[3-(3,4-dihydroxyphenyl)propanoyl]aspartate | C27H27NO7

Dibenzyl N-[3-(3,4-dihydroxyphenyl)propanoyl]aspartate

  • Molecular FormulaC27H27NO7
  • Average mass477.506 Da
  • Monoisotopic mass477.178741 Da
  • ChemSpider ID26458469

More details:

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

Aspartic acid, N-[3-(3,4-dihydroxyphenyl)-1-oxopropyl]-, bis(phenylmethyl) ester [ACD/Index Name]
Dibenzyl N-[3-(3,4-dihydroxyphenyl)propanoyl]aspartate [ACD/IUPAC Name]
Dibenzyl-N-[3-(3,4-dihydroxyphenyl)propanoyl]aspartat [German] [ACD/IUPAC Name]
N-[3-(3,4-Dihydroxyphényl)propanoyl]aspartate de dibenzyle [French] [ACD/IUPAC Name]
1,4-DIBENZYL 2-[3-(3,4-DIHYDROXYPHENYL)PROPANAMIDO]BUTANEDIOATE
3,4-dihydroxy Hydrocinnamic acid (L-Aspartic acid dibenzyl ester) amide
615264-62-5 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 727.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.0±3.0 kJ/mol
Flash Point: 393.9±32.9 °C
Index of Refraction: 1.610
Molar Refractivity: 128.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 3.74
ACD/LogD (pH 5.5): 3.23
ACD/BCF (pH 5.5): 168.67
ACD/KOC (pH 5.5): 1366.79
ACD/LogD (pH 7.4): 3.23
ACD/BCF (pH 7.4): 167.32
ACD/KOC (pH 7.4): 1355.86
Polar Surface Area: 122 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 57.4±3.0 dyne/cm
Molar Volume: 369.3±3.0 cm3

Click to predict properties on the Chemicalize site


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