ChemSpider 2D Image | 3,3'-{[14,21,28-Trimethoxy-42-({1-[2-(4-sulfamoylphenyl)ethyl]-1H-1,2,3-triazol-4-yl}methoxy)-9,12,30,33,43,46-hexaoxadecacyclo[20.20.4.3~8,37~.3~16,29~.1~13,17~.1~34,38~.0~3,40~.0~5,49~.0~19,24~.0~26
,52~]tetrapentaconta-1(42),2,5,7,13(54),14,16,19,21,23,26,28,34(47),35,37,40,49,51-octadecaene-7,35-diyl]bis(oxymethylene-1H-1,2,3-triazole-4,1-diyl)}dipropanoic acid | C74H74N10O18S

3,3'-{[14,21,28-Trimethoxy-42-({1-[2-(4-sulfamoylphenyl)ethyl]-1H-1,2,3-triazol-4-yl}methoxy)-9,12,30,33,43,46-hexaoxadecacyclo[20.20.4.38,37.316,29.113,17.134,38.03,40.05,49.019,24.026 ,52]tetrapentaconta-1(42),2,5,7,13(54),14,16,19,21,23,26,28,34(47),35,37,40,49,51-octadecaene-7,35-diyl]bis(oxymethylene-1H-1,2,3-triazole-4,1-diyl)}dipropanoic acid

  • Molecular FormulaC74H74N10O18S
  • Average mass1423.501 Da
  • Monoisotopic mass1422.490356 Da
  • ChemSpider ID22376105

More details:






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

3,3'-{[14,21,28-Trimethoxy-42-({1-[2-(4-sulfamoylphenyl)ethyl]-1H-1,2,3-triazol-4-yl}methoxy)-9,12,30,33,43,46-hexaoxadecacyclo[20.20.4.38,37.316,29.113,17.134,38.03,40.05,49.019,24.026 ,52]tetrapentaconta-1(42),2,5,7,13(54),14,16,19,21,23,26,28,34(47),35,37,40,49,51-octadecaen-7,35-diyl]bis(oxymethylen-1H-1,2,3-triazol-4,1-diyl)}dipropansäure [German] [ACD/IUPAC Name]
3,3'-{[14,21,28-Trimethoxy-42-({1-[2-(4-sulfamoylphenyl)ethyl]-1H-1,2,3-triazol-4-yl}methoxy)-9,12,30,33,43,46-hexaoxadecacyclo[20.20.4.38,37.316,29.113,17.134,38.03,40.05,49.019,24.026 ,52]tetrapentaconta-1(42),2,5,7,13(54),14,16,19,21,23,26,28,34(47),35,37,40,49,51-octadecaene-7,35-diyl]bis(oxymethylene-1H-1,2,3-triazole-4,1-diyl)}dipropanoic acid [ACD/IUPAC Name]
Acide 3,3'-{[14,21,28-triméthoxy-42-({1-[2-(4-sulfamoylphényl)éthyl]-1H-1,2,3-triazol-4-yl}méthoxy)-9,12,30,33,43,46-hexaoxadécacyclo[20.20.4.38,37.316,29.113,17.134,38.03,40.05,49.019,24 .026,52]tétrapentaconta-1(42),2,5,7,13(54),14,16,19,21,23,26,28,34(47),35,37,40,49,51-octadécaène-7,35-diyl]bis(oxyméthylène-1H-1,2,3-triazole-4,1-diyl)}dipropanoïque [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.696
Molar Refractivity: 369.3±0.5 cm3
#H bond acceptors: 28
#H bond donors: 4
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 3
ACD/LogP: 7.85
ACD/LogD (pH 5.5): 4.24
ACD/BCF (pH 5.5): 222.71
ACD/KOC (pH 5.5): 287.70
ACD/LogD (pH 7.4): 2.19
ACD/BCF (pH 7.4): 1.97
ACD/KOC (pH 7.4): 2.55
Polar Surface Area: 346 Å2
Polarizability: 146.4±0.5 10-24cm3
Surface Tension: 61.2±7.0 dyne/cm
Molar Volume: 959.4±7.0 cm3

Click to predict properties on the Chemicalize site






Advertisement