ChemSpider 2D Image | 3-[5,11,22,28,34-Pentamethyl-3,9,15,20,26,32,38,43-octaoxo-2,5,8,11,14,19,22,25,28,31,34,37,42,45,48-pentadecaazaheptacyclo[42.2.1.1~4,7~.1~10,13~.1~21,24~.1~27,30~.1~33,36~]dopentaconta-1(46),4(52),6 ,10(51),12,21(50),23,27(49),29,33(48),35,44(47)-dodecaen-45-yl]-1-propanaminium | C45H55N16O8

3-[5,11,22,28,34-Pentamethyl-3,9,15,20,26,32,38,43-octaoxo-2,5,8,11,14,19,22,25,28,31,34,37,42,45,48-pentadecaazaheptacyclo[42.2.1.14,7.110,13.121,24.127,30.133,36]dopentaconta-1(46),4(52),6 ,10(51),12,21(50),23,27(49),29,33(48),35,44(47)-dodecaen-45-yl]-1-propanaminium

  • Molecular FormulaC45H55N16O8
  • Average mass948.020 Da
  • Monoisotopic mass947.438354 Da
  • ChemSpider ID394872

  • Charge - Charge

More details:

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

2,5,8,11,14,19,22,25,28,31,34,37,42,45,48-Pentadecaazaheptacyclo[42.2.1.14,7.110,13.121,24.127,30.133,36]dopentaconta-4(52),6,10(51),12,21(50),23,27(49),29,33(48),35,44(47),46-dodecaene-45-p ;ropanaminium, 5,11,22,28,34-pentamethyl-3,9,15,20,26,32,38,43-octaoxo- [ACD/Index Name]
3-[5,11,22,28,34-Pentamethyl-3,9,15,20,26,32,38,43-octaoxo-2,5,8,11,14,19,22,25,28,31,34,37,42,45,48-pentadecaazaheptacyclo[42.2.1.14,7.110,13.121,24.127,30.133,36]dopentaconta-1(46),4(52),6 ,10(51),12,21(50),23,27(49),29,33(48),35,44(47)-dodecaen-45-yl]-1-propanaminium [ACD/IUPAC Name]
3-[5,11,22,28,34-Pentamethyl-3,9,15,20,26,32,38,43-octaoxo-2,5,8,11,14,19,22,25,28,31,34,37,42,45,48-pentadecaazaheptacyclo[42.2.1.14,7.110,13.121,24.127,30.133,36]dopentaconta-1(46),4(52),6 ,10(51),12,21(50),23,27(49),29,33(48),35,44(47)-dodecaen-45-yl]-1-propanaminium [German] [ACD/IUPAC Name]
3-[5,11,22,28,34-Pentaméthyl-3,9,15,20,26,32,38,43-octaoxo-2,5,8,11,14,19,22,25,28,31,34,37,42,45,48-pentadécaazaheptacyclo[42.2.1.14,7.110,13.121,24.127,30.133,36]dopentaconta-1(46),4(52),6 ,10(51),12,21(50),23,27(49),29,33(48),35,44(47)-dodécaén-45-yl]-1-propanaminium [French] [ACD/IUPAC Name]
45-(3-AMINOPROPYL)-5,11,22,28,34-PENTAMETHYL-3,9,15,20,26,32,38,43-OCTAOXO-2,5,8,14,19,22,25,28,31,34,37,42,45,48-TETRADECAAZA-11-AZONIAHEPTACYCLO[42.2.1.14,7.110,13.121,24.127,30.133,36]DOPENTACONTA-1(46),4(52),6,10(51),12,21(50),23,27(49),29,33(48),35,44(47)-DODECAENE
CYE

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 24
#H bond donors: 10
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: -2.96
ACD/LogD (pH 5.5): -4.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 303 Å2
Polarizability:
Surface Tension:
Molar Volume:

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