ChemSpider 2D Image | CAY10485 | C27H27NO7

CAY10485

  • Molecular FormulaC27H27NO7
  • Average mass477.506 Da
  • Monoisotopic mass477.178741 Da
  • ChemSpider ID21467537

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

615264-62-5 [RN]
CAY10485
Dibenzyl N-[3-(3,4-dihydroxyphenyl)propanoyl]-L-aspartate [ACD/IUPAC Name]
Dibenzyl-N-[3-(3,4-dihydroxyphenyl)propanoyl]-L-aspartat [German] [ACD/IUPAC Name]
L-Aspartic acid, N-[3-(3,4-dihydroxyphenyl)-1-oxopropyl]-, bis(phenylmethyl) ester [ACD/Index Name]
N-[3-(3,4-Dihydroxyphényl)propanoyl]-L-aspartate de dibenzyle [French] [ACD/IUPAC Name]
(S)-2-[3-(3,4-Dihydroxy-phenyl)-propionylamino]-succinic acid dibenzyl ester
[615264-62-5] [RN]
3,4-dihydroxy Hydrocinnamic acid (L-Aspartic acid dibenzyl ester) amide
3,4-Dihydroxyhydrocinnamic acid (L-aspartic acid dibenzyl ester) amide
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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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