ChemSpider 2D Image | Diethyl 2-{[5-(3-ethoxy-3-oxopropyl)-8,11-bis(2-methoxy-2-oxoethyl)-3,6,9,12-tetraoxo-1-phenyl-2-oxa-4,7,10-triazadodecan-12-yl]amino}pentanedioate | C34H48N4O15

Diethyl 2-{[5-(3-ethoxy-3-oxopropyl)-8,11-bis(2-methoxy-2-oxoethyl)-3,6,9,12-tetraoxo-1-phenyl-2-oxa-4,7,10-triazadodecan-12-yl]amino}pentanedioate

  • Molecular FormulaC34H48N4O15
  • Average mass752.763 Da
  • Monoisotopic mass752.311646 Da
  • ChemSpider ID338158

More details:

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

2-{[5-(3-Éthoxy-3-oxopropyl)-8,11-bis(2-méthoxy-2-oxoéthyl)-3,6,9,12-tétraoxo-1-phényl-2-oxa-4,7,10-triazadodécan-12-yl]amino}pentanedioate de diéthyle [French] [ACD/IUPAC Name]
Diethyl 2-{[5-(3-ethoxy-3-oxopropyl)-8,11-bis(2-methoxy-2-oxoethyl)-3,6,9,12-tetraoxo-1-phenyl-2-oxa-4,7,10-triazadodecan-12-yl]amino}pentanedioate [ACD/IUPAC Name]
Diethyl-2-{[5-(3-ethoxy-3-oxopropyl)-8,11-bis(2-methoxy-2-oxoethyl)-3,6,9,12-tetraoxo-1-phenyl-2-oxa-4,7,10-triazadodecan-12-yl]amino}pentandioat [German] [ACD/IUPAC Name]
Diethyl 5-(3-ethoxy-3-oxopropyl)-8,11-bis(2-methoxy-2-oxoethyl)-3,6,9,12-tetraoxo-1-phenyl-2-oxa-4,7,10,13-tetraazahexadecane-14,16-dicarboxylate

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

AIDS144919 [DBID]
AIDS-144919 [DBID]
NSC668444 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 936.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.3±3.0 kJ/mol
Flash Point: 520.1±34.3 °C
Index of Refraction: 1.515
Molar Refractivity: 181.2±0.3 cm3
#H bond acceptors: 19
#H bond donors: 4
#Freely Rotating Bonds: 29
#Rule of 5 Violations: 3
ACD/LogP: 5.16
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 213.18
ACD/KOC (pH 5.5): 1616.31
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 213.00
ACD/KOC (pH 7.4): 1614.94
Polar Surface Area: 257 Å2
Polarizability: 71.8±0.5 10-24cm3
Surface Tension: 48.3±3.0 dyne/cm
Molar Volume: 600.4±3.0 cm3

Click to predict properties on the Chemicalize site


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