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Search term: WWQPEQRYLXARLJ-DQFIAVEHCE (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 1,2-Diethyl 21-methyl 20-{[(benzyloxy)carbonyl]amino}-5,11,17-tris(3-ethoxy-3-oxopropyl)-8,14-bis(2-methoxy-2-oxoethyl)-4,7,10,13,16,19-hexaoxo-3,6,9,12,15,18-hexaazahenicosane-1,2,21-tricarboxylate ( non-preferred name) | C52H75N7O24

1,2-Diethyl 21-methyl 20-{[(benzyloxy)carbonyl]amino}-5,11,17-tris(3-ethoxy-3-oxopropyl)-8,14-bis(2-methoxy-2-oxoethyl)-4,7,10,13,16,19-hexaoxo-3,6,9,12,15,18-hexaazahenicosane-1,2,21-tricarboxylate ( non-preferred name)

  • Molecular FormulaC52H75N7O24
  • Average mass1182.184 Da
  • Monoisotopic mass1181.486328 Da
  • ChemSpider ID338154

More details:

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

1,2-Diethyl 21-methyl 20-{[(benzyloxy)carbonyl]amino}-5,11,17-tris(3-ethoxy-3-oxopropyl)-8,14-bis(2-methoxy-2-oxoethyl)-4,7,10,13,16,19-hexaoxo-3,6,9,12,15,18-hexaazahenicosane-1,2,21-tricarboxylate ( non-preferred name) [ACD/IUPAC Name]
1,2-Diethyl-21-methyl-20-{[(benzyloxy)carbonyl]amino}-5,11,17-tris(3-ethoxy-3-oxopropyl)-8,14-bis(2-methoxy-2-oxoethyl)-4,7,10,13,16,19-hexaoxo-3,6,9,12,15,18-hexaazahenicosan-1,2,21-tricarboxylat (no n-preferred name) [German] [ACD/IUPAC Name]
20-{[(Benzyloxy)carbonyl]amino}-5,11,17-tris(3-éthoxy-3-oxopropyl)-8,14-bis(2-méthoxy-2-oxoéthyl)-4,7,10,13,16,19-hexaoxo-3,6,9,12,15,18-hexaazahénicosane-1,2,21-tricarboxylate de 1,2-diéthyle et de 2 1-méthyle [French] [ACD/IUPAC Name]

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

AIDS144914 [DBID]
AIDS-144914 [DBID]
NCI60_023879 [DBID]
NSC668439 [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: 1271.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 191.0±3.0 kJ/mol
Flash Point: 722.9±34.3 °C
Index of Refraction: 1.518
Molar Refractivity: 280.7±0.3 cm3
#H bond acceptors: 31
#H bond donors: 7
#Freely Rotating Bonds: 47
#Rule of 5 Violations: 4
ACD/LogP: 6.87
ACD/LogD (pH 5.5): 4.53
ACD/BCF (pH 5.5): 1620.79
ACD/KOC (pH 5.5): 6899.86
ACD/LogD (pH 7.4): 4.53
ACD/BCF (pH 7.4): 1618.64
ACD/KOC (pH 7.4): 6890.69
Polar Surface Area: 423 Å2
Polarizability: 111.3±0.5 10-24cm3
Surface Tension: 50.0±3.0 dyne/cm
Molar Volume: 927.0±3.0 cm3

Click to predict properties on the Chemicalize site


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